Tag: Computational Chemistry

📚 Early Academic Pursuits

From his undergraduate years, Gavin pursued an intensive and well-rounded curriculum combining physics, computer science, statistics, and math. At the University of Illinois, he rapidly immersed himself in research labs across departments, from atmospheric science to applied physics. His early work on storm evolution using radar data and split ventilator circuit designs during COVID-19 set the stage for a career shaped by both scientific creativity and societal impact. By sophomore year, he was already engaged in publication-worthy projects, a rare distinction that reflects both intellectual curiosity and a strong research aptitude at an early stage.

🧪 Professional Endeavors

Gavin has held research roles in seven different labs, including Sandia National Laboratories, where he currently develops molecular dynamics simulations and machine learning classification pipelines. His career reflects extraordinary versatility ranging from photovoltaic optimization algorithms to nuclear fuel canister corrosion studies using electrochemical impedance spectroscopy. Notably, he contributed to the Geubelle Computational Mechanics Group, refining finite element models for polymer composites. His consistent engagement with cross-disciplinary teams and national laboratories highlights not just technical skill, but also adaptability, collaboration, and a genuine drive to explore science at the interface of computation and engineering.

🧭 Contributions and Research Focus

Gavin’s research focus is deeply rooted in computational physics and materials engineering, with contributions spanning hydrogen diffusion, quantum computing emulation, and additive manufacturing. He has co-authored peer-reviewed papers on topics like frontal polymerization, corrosion-resistant coatings, and solid-state battery simulations. His work combines physics-based modeling with modern data-driven techniques, such as ML classifiers and simulation automation. Gavin excels in building software tools, running large-scale simulations, and validating models using real-world experimental data, positioning himself at the cutting edge of next-generation material innovation and sustainable energy solutions.

🌍 Impact and Influence

Gavin’s influence is evident in the multidisciplinary breadth of his projects and the applied nature of his research, which addresses critical challenges in renewable energy, quantum computing, and nuclear safety. He has contributed to innovations that enhance solar power efficiency, extend the life of nuclear infrastructure, and optimize advanced manufacturing methods. His efforts are not confined to academia several works have national implications, especially within energy and defense research sectors. His publication record and national lab affiliations showcase a rising research leader, poised to impact both fundamental science and applied technology development.

📄 Academic Citations

Gavin is a co-author of multiple peer-reviewed papers and conference proceedings, with publications in Composite Structures, Composites Part A, and Coatings, among others. His research has earned citations across materials science, energy systems, and applied physics communities. Most notably, his paper on irradiation effects in corrosion-resistant coatings (Coatings, 2025) and his work on frontal polymerization have gained early recognition. He has presented at prestigious venues like IMECE 2023 and ASC 2023, signaling his growing academic presence. As he continues publishing and expanding collaborations, his citation index is expected to grow rapidly in coming years.

🛠️ Research Skills

Gavin possesses advanced programming skills (C++, Python, SQL, R) and experience with scientific computing tools like FEniCS, PyTorch, NumPy, and ParaView. His expertise in data analysis, machine learning, and simulation modeling is supported by fluency in parallel programming, HPC environments, and scientific visualization. He has built quantum emulators, designed Monte Carlo simulations for hydrogen diffusion, and led data integration across weather models and radar systems. His blend of computational fluency, physical intuition, and data science methodologies equips him with a rare skillset ideal for solving high-dimensional, multidisciplinary problems.

🔮 Legacy and Future Contributions

Gavin DeBrun is building a legacy rooted in scientific versatility and computational innovation. His work spans multiple high-impact domains, and he consistently contributes to solving some of today’s most pressing energy and materials challenges. In the near future, he is poised to become a thought leader in computational materials science, with strong potential for Ph.D. pursuits, interdisciplinary publications, and industry collaborations. As an innovator, educator, and systems thinker, his contributions will likely influence the development of resilient energy systems, smart materials, and next-generation simulation tools for years to come.

Publications Top Notes

Multiscale modeling of frontal polymerization in laminated and woven composites

Authors: Michael Zakoworotny, Gavin DeBrun, Sameh H. Tawfick, Jeffery W. Baur, Philippe H. Geubelle
Journal: Composite Structures
Year: 2025

Reactive extrusion of frontally polymerizing continuous carbon fiber reinforced polymer composites

Authors: Nadim S. Hmeidat, Michael Zakoworotny, Yun Seong Kim, Thien B. Le, Gavin DeBrun, Rohan Shah, Jacob J. Lessard, Jeffery S. Moore, Jeffery W. Baur, Philippe H. Geubelle
Journal: Composites Part A: Applied Science and Manufacturing
Year: 2025

Impact of Irradiation on Corrosion Performance of Hybrid Organic/Inorganic Coatings on Austenitic Stainless Steel

Authors: Natalie Click, Andrew Knight, Brendan Nation, Makeila Maguire, Samay Verma, Gavin DeBrun, Tyler McCready, Adam Goff, Audrey Rotert, Don Hanson
Journal: Coatings
Year: 2025

Additive Manufacturing of Frontally-Polymerizable Continuous Carbon Fiber Tow-Based Composites

Authors: Nadim S. Hmeidat, Michael Zakoworotny, Nil A. Parikh, Thien B. Le, Pranjal Agrawal, Gavin DeBrun, Jeffery Baur, Philippe H. Geubelle, Sameh H. Tawfick, Nancy R. Sottos
Journal: Proceedings of the American Society for Composites (ASC)
Year: 2023

Marilyn Bishop | Theoretical Advances | Best Researcher Award

Posted on 01/07/202502/07/2025 by High Energy Physics

Dr. Marilyn Bishop | Theoretical Advances | Best Researcher Award

Associate Professor at Virginia Commonwealth University | United States

Marilyn F. Bishop is a tenured Associate Professor of Physics at Virginia Commonwealth University since 1986. She earned her Ph.D. in Physics from the University of California, Irvine in 1976. With a strong foundation in mathematics and physics, she has developed a multifaceted academic career blending theoretical physics with biophysical research. Bishop’s extensive work spans decades, contributing to both scientific understanding and educational advancements, making her a respected figure in physics education and research communities.

Profile

🎓 Early Academic Pursuits

Bishop’s academic journey began with dual Bachelor’s degrees in Physics (1971) and Mathematics (1972) from UC Irvine, followed by a Master’s (1973) and Ph.D. in Physics (1976) from the same institution. She started as a Research Assistant at UC Irvine, honing her skills in theoretical physics. Early postdoctoral work at Purdue University and a visiting scientist role at Technische Universität München reflect her deep engagement with surface physics and condensed matter topics, establishing a strong foundation for her future research and teaching career.

💼 Professional Endeavors

Since 1986, Marilyn Bishop has been a key faculty member at VCU, earning tenure in 1990. Her earlier roles include Assistant Professor at Drexel University and consulting for Purdue University’s Physics Department. She has also been a Fellow at the Center for the Study of Biological Complexity, integrating physics with biological applications. Her professional work balances academic research, collaborative projects, and consulting, emphasizing both theoretical and computational physics, alongside mentoring students and contributing to interdisciplinary scientific communities.

🔬 Contributions and Research Focus

Bishop’s research emphasizes surface polaritons, spatially dispersive materials, and light scattering phenomena, particularly relating to biophysical systems like sickle hemoglobin polymerization. She has published extensively on surface exciton polaritons, Raman scattering, and spin susceptibility in electron gases. Her interdisciplinary work bridges physics and biology, supported by NIH grants focused on computational modeling of cardiopulmonary physiology. Her innovative use of photonic band structure methods to study biological tissues, such as the eye’s cornea, marks a notable contribution to biophysics.

🌟 Impact and Influence

Marilyn Bishop’s impact is seen through her numerous publications, presentations, and invited talks at major physics conferences like the APS March Meetings. She has helped shape understanding in condensed matter physics and biophysics, fostering collaboration between physics and biological sciences. Her research has influenced studies on electron interactions, spin susceptibility, and optical properties of materials, inspiring new computational approaches. She is a mentor to students and colleagues, advancing physics education and encouraging interdisciplinary exploration.

📖 Academic Cites

Her scholarly work has been cited widely in condensed matter physics and biophysics, particularly her studies on surface polaritons and electron gas spin susceptibility. Papers published in prestigious journals like Physical Review B and Physical Review Letters demonstrate her research rigor and relevance. Participation in workshops such as the NSF’s Materials Theory and her role in presenting at over 50 conferences have further solidified her standing in the scientific community, influencing ongoing research in theoretical and applied physics.

🧠 Research Skills

Marilyn Bishop possesses advanced skills in theoretical modeling, computational physics, and light scattering techniques. She developed Mathematica programs for physics visualization and data analysis, pioneering online homework systems in physics education. Her expertise extends to Monte Carlo simulations, photonic band structure calculations, and modeling complex biological systems. Her research methodology combines rigorous mathematical frameworks with computational tools to explore physical phenomena at both micro and macro scales, enhancing interdisciplinary research capabilities.

👩‍🏫 Teaching Experience

Bishop has a rich teaching portfolio, delivering courses from introductory physics labs to advanced graduate seminars in quantum mechanics, electromagnetism, and theoretical mechanics. She created new courses like Physics of Sound and Music and integrated Mathematica visualization tools into the curriculum. Known for developing online homework and detailed instructional materials, Bishop has mentored numerous students and collaborated with colleagues to enhance physics pedagogy at VCU, combining research insights with effective teaching strategies.

🏆 Awards and Honors

Her accolades include the Drexel University Research Scholar Award, membership in Sigma Xi, and the VCU SEED Award (2022-2023) for innovative research proposals. She also earned recognition early in her career with the First Place in the Writer’s Division of the Advertiser-Press Awards (1969). Bishop has secured multiple NIH grants supporting research and education, as well as industry funding, underscoring her research’s impact and her commitment to scientific excellence and mentorship.

🔮 Legacy and Future Contributions

Marilyn F. Bishop’s legacy lies in her interdisciplinary research bridging physics and biology, innovative teaching methods, and mentorship. Her ongoing work on sickle-cell hemoglobin structure and computational biophysics continues to push boundaries. As a tenured professor and research fellow, she is poised to influence future generations through continued scholarship, course development, and collaborative projects. Her integration of computational tools and physical theory sets a strong foundation for future scientific and educational advancements.

Publications Top Notes

Entropies of the Classical Dimer Model

Authors: John C. Baker, Marilyn F. Bishop, Tom McMullen
Journal: Entropy
Year: 2025

An α-chain modification rivals the effect of fetal hemoglobin in retarding the rate of sickle cell fiber formation

Authors: E.H. Worth, M.K. Fugate, K.C. Grasty, P.J. Loll, Marilyn F. Bishop, F.A. Ferrone
Journal: Scientific Reports
Year: 2023

Entropy of Charge Inversion in DNA including One-Loop Fluctuations

Authors: M.D. Sievert, Marilyn F. Bishop, Tom McMullen
Journal: Entropy
Year: 2023

Superlinear increase of photoluminescence with excitation intensity in Zn-doped GaN

Authors: M.A. Reshchikov, A.J. Olsen, Marilyn F. Bishop, Tom McMullen
Journal: Physical Review B – Condensed Matter and Materials Physics
Year: 2013

The Sickle-Cell Fiber Revisited

Authors: Marilyn F. Bishop, Frank A. Ferrone
Journal: Biomolecules
Year: 2023

Chengyan Liu | Advanced Computing | Best Researcher Award

Posted on 25/06/2025 by High Energy Physics

Prof. Chengyan Liu | Advanced Computing | Best Researcher Award

Henan University | China

Professor Chengyan Liu is a distinguished scholar in Condensed Matter Physics and Computational Physics, currently serving as a Full Research Professor at the Institute of Future Technologies, Henan University. He is a Doctoral Supervisor and a recognized Yellow River Scholar. With academic roots from Fudan University and an international postdoctoral stint at UC Irvine, Prof. Liu has become a leading authority on defect physics, semiconductor interfaces, and photoelectronic materials. His prolific output includes over 20 high-impact publications, multiple national research grants, and a reputation for pushing the boundaries of theoretical materials science.

Profile

🎓 Early Academic Pursuits

Prof. Liu’s academic journey began with a B.Sc. in Physics from Zhengzhou University in 2011, followed by an M.Sc. in Theoretical Physics at the same institution in 2014. He then pursued a Ph.D. at Fudan University, completing it in 2017 under a rigorous theoretical physics program. During this formative period, he laid a solid foundation in quantum theory, computational modeling, and condensed matter systems, which would become central to his future research. His early interest in semiconductor materials and grain boundary phenomena steered him toward the path of advanced computational materials physics.

🏛️ Professional Endeavors

After earning his Ph.D., Prof. Liu expanded his expertise as a postdoctoral researcher at the University of California, Irvine, where he worked in the Department of Astrophysics. He returned to China to join Henan University, rapidly progressing from Lecturer (2020) to Distinguished Professor, and most recently, a Fast-Tracked Full Professor (2024) under Henan’s elite talent program. At Henan, he spearheads critical research in the Quantum Materials and Quantum Energy Lab, leads provincial and national-level projects, and serves as a doctoral mentor. His role bridges academic leadership, institutional innovation, and scientific advancement.

🔬 Contributions and Research Focus

Prof. Liu specializes in theoretical studies of defect physics, excited-state dynamics, and optoelectronic behavior in multicomponent semiconductors. His pioneering work on Cu₂ZnSn(SSe)₄ solar cells, defect passivation, and p-type transparent conductors has led to material innovations critical for next-generation solar energy devices. He is known for integrating first-principles calculations, nonadiabatic molecular dynamics, and interface engineering to resolve longstanding efficiency bottlenecks in photovoltaics. His research also touches on phonon imaging, bandgap tuning, and nanostructure thermodynamics, cementing his role as a cross-disciplinary leader in materials computation and energy physics.

🌏 Impact and Influence

Prof. Liu’s research has significantly impacted the fields of photovoltaics, defect engineering, and quantum materials. His work in kesterite solar cells has advanced understanding of Voc-deficits and interface stability, directly influencing experimental design across China and abroad. He has published in Nature, Advanced Energy Materials, and npj Computational Materials, garnering citations and collaborations globally. As a corresponding or first author on most of his publications, he shapes scholarly discourse and sets research directions. His mentorship and visibility in national projects further amplify his influence on China’s renewable energy research landscape.

📚 Academic Citations

Prof. Liu has authored or co-authored over 20 peer-reviewed publications in journals with impact factors exceeding 50 (Nature, AFM, Nano Letters, etc.). His works are widely cited in the fields of materials chemistry, physics, and energy science. His contributions to defect theory, interface passivation, and electronic structure analysis are frequently referenced by experimentalists and theorists alike. Notably, his 2021 Nature paper on single-defect phonons and his 2017 work in Advanced Energy Materials are seminal in their respective domains. His consistent authorship and citation metrics mark him as a globally recognized scholar in computational materials science.

🧠 Research Skills

Prof. Liu possesses deep expertise in first-principles modeling, density functional theory (DFT), nonadiabatic dynamics, and defect analysis. His ability to combine quantum simulations with applied material design allows him to bridge theory and experiment. He has demonstrated prowess in bandgap engineering, passivation chemistry, and interface defect control. His skillset includes advanced tools like VASP, Quantum ESPRESSO, and phonon analysis frameworks. He leads multi-disciplinary teams, mentors graduate researchers, and designs custom simulation frameworks to address complex materials problems placing him at the frontier of computational materials innovation.

🎓 Teaching Experience

Since 2020, Prof. Liu has taught Advanced Quantum Mechanics for graduate students, delivering 54 hours annually. He is renowned for blending rigorous theoretical depth with computational applications, making abstract quantum concepts tangible. His textbook contribution, Study Guide to Griffiths’ Quantum Mechanics, demonstrates his pedagogical commitment and ability to clarify complex physics. Students under his mentorship have contributed to publications, signaling his effectiveness in academic training and talent development. Prof. Liu emphasizes problem-solving, analytical thinking, and research integration, providing a strong foundation for emerging physicists and materials scientists under his guidance.

🏆 Awards and Honors

Prof. Liu was awarded the prestigious Yellow River Scholar title a top provincial honor recognizing distinguished academic performance. His selection as a Fast-Tracked Full Professor under Henan’s High-Level and Urgently Needed Talent Program attests to his scientific merit and leadership potential. He has received multiple NSFC research grants and is the recipient of the Henan Excellent Young Scientists Fund. His inclusion on the Board of the Henan Physical Society further highlights his stature in the academic community. These honors reflect not only his past accomplishments but also his promise for future breakthroughs.

🚀 Legacy and Future Contributions

Prof. Liu is poised to leave a lasting legacy in quantum materials research and solar energy innovation. His pioneering work on transparent conductors, defect-tolerant semiconductors, and carrier lifetime enhancement will continue to shape the next wave of clean energy technology. As a mentor, author, and national project leader, he is building a robust academic ecosystem in Henan Province and beyond. Looking ahead, he aims to expand international collaborations, transition more research toward real-world applications, and foster interdisciplinary integration. His legacy will likely include both scientific excellence and the nurturing of future scientific leaders.

Publications Top Notes

Title: Defect inducing large spin orbital coupling enhances magnetic recovery dynamics in CrI3 monolayer
Authors: Yu Zhou, Ke Zhao, Zhenfa Zheng, Huiwen Xiang, Jin Zhao,* Chengyan Liu,*
Journal: npj Computational Materials
Year: 2025
Title: Interfacial passivation of kesterite solar cells for enhanced carrier lifetime: Ab initio nonadiabatic molecular dynamics study
Authors: Huiwen Xiang, Zhenfa Zheng, Ke Zhao, Chengyan Liu,* Jin Zhao,*
Journal: Advanced Functional Materials
Year: 2024
Title: Synergistic densification in hybrid organic-inorganic MXenes for optimized photothermal conversion
Authors: Tong Xu, Shujuan Tan,* Shaoxiong Li, Tianyu Chen, Yue Wu, Yilin Hao, Chengyan Liu,* Guangbin Ji,*
Journal: Advanced Functional Materials
Year: 2024
Title: Defect-complex engineering to improve the optoelectronic properties of CuInS2 by phosphorus incorporation
Authors: Huiwen Xiang, Jinping Zhang, Feifei Ren, Rui Zhu, Yu Jia, Chengyan Liu,*
Journal: Physical Review Applied
Year: 2023
Title: Analytical energy formalism and kinetic effects of grain boundaries: A case study of graphene
Authors: Chengyan Liu, Zhiming Li, Xingao Gong,*
Journal: Applied Physics Letters
Year: 2024

Arunima Singh | Computational Methods | Best Researcher Award

Posted on 18/06/202518/06/2025 by High Energy Physics

Prof. Arunima Singh | Computational Methods | Best Researcher Award

Assistant Professor at Arizona State University | United States

Dr. Arunima K. Singh is an Assistant Professor in the Department of Physics at Arizona State University (ASU) and a graduate faculty member in Materials Science and Engineering. Her research bridges computational materials science, applied physics, and machine learning, focusing on discovering novel materials for energy and electronic applications. She holds a Ph.D. from Cornell University and has conducted postdoctoral research at both NIST and Lawrence Berkeley National Lab. With over 57 publications, her work is highly regarded in the scientific community, earning prestigious awards, editorial roles, and invitations to speak globally on advanced materials research.

Profile

🎓 Early Academic Pursuits

Dr. Singh’s academic journey began with a B.Tech. (Honors) in Metallurgical and Materials Engineering from IIT Kharagpur, where she earned multiple academic awards and graduated with a departmental silver medal. She pursued graduate studies at Cornell University, receiving both M.S. and Ph.D. degrees in Materials Science and Engineering, with a minor in Applied Physics. Under the guidance of Prof. Richard G. Hennig, her doctoral work focused on theoretical materials design. Her education was supported by prestigious fellowships including the McMullen Fellowship and Dow Chemical Fellowship, laying a strong foundation for her future research career.

💼 Professional Endeavors

Dr. Singh’s professional experience spans national labs and academia. Following her Ph.D., she held postdoctoral appointments at the National Institute of Standards and Technology (NIST) and Lawrence Berkeley National Lab (LBNL), collaborating with leaders like Dr. Francesca Tavazza and Prof. Kristin Persson. Since 2018, she has been a faculty member at ASU, where she also contributes as a graduate mentor and research leader. Beyond teaching and research, she serves on editorial boards, national committees, and plays an active role in shaping research programs in the DOE Energy Frontier Research Center and TMS divisions.

🔬 Contributions and Research Focus

Dr. Singh specializes in computational materials discovery, leveraging density functional theory (DFT), GW-BSE methods, and machine learning to uncover materials for photocatalysis, solar energy, and 2D electronics. She has developed high-throughput workflows like pyGWBSE, enabling scalable simulations for optoelectronic properties. Her notable contributions include predictive models for nanoscroll formation, ultra-wide band gap semiconductors, and surface film protectiveness. She is a pioneer in integrating AI techniques with first-principles simulations, pushing the boundaries of how materials are discovered and optimized for real-world applications, with her work often featured in high-impact journals like npj Computational Materials and Advanced Functional Materials.

🌍 Impact and Influence

With over 4,300 citations, an h-index of 25, and continuous recognition in global venues, Dr. Singh’s influence is widespread. Her research has made foundational contributions to photocatalytic energy materials, grain boundary physics, and 2D nanomaterials. She has mentored students who have gone on to win prestigious poster and research awards, reflecting her impact as an educator and scientist. Invited to give keynote speeches and colloquia across institutions, from Caltech to international webinars, she is recognized as a thought leader in her field. She plays a key role in shaping policy and research strategy through MaRDA, DOE, and TMS platforms.

📊 Academic Cites

Dr. Singh’s work has been published in top-tier journals like npj 2D Materials & Applications, Nano Letters, and Annual Review of Condensed Matter Physics. Her publications are frequently cited, reflecting both depth and breadth of research impact across fields including computational materials science, nanotechnology, and machine learning in physics. Her most cited works address CO₂ reduction photocatalysts, vibrational EELS theory, and strain-induced nanoscrolls. As of March 2025, her Google Scholar profile records 4,396 citations, a 25 h-index, and 35 i10-index, a clear testament to the lasting relevance and utility of her contributions in cutting-edge research.

🧪 Research Skills

Dr. Singh brings expertise in first-principles simulations, high-throughput computing, and machine learning for materials design. She has built custom computational workflows like pyGWBSE and developed data-driven algorithms for stability and performance prediction. Her skillset includes GW-BSE optical simulations, phonon and defect state analysis, and interface science. She collaborates with both theory and experiment teams, enhancing the real-world applicability of her computational models. Proficient in Python, VASP, Quantum ESPRESSO, and emerging AI frameworks, her skills position her at the frontier of materials informatics, enabling novel discoveries in photocatalysis, electronics, and energy storage.

👩‍🏫 Teaching Experience

As an Assistant Professor at ASU, Dr. Singh has taught and mentored students in Physics and Materials Science, often integrating cutting-edge research topics into her coursework. Her mentorship has led to student-led publications, poster awards, and graduate research accolades. She actively supervises Ph.D. students, guiding them through interdisciplinary research spanning condensed matter physics, AI in materials, and 2D materials design. Beyond classroom teaching, she regularly delivers technical workshops, participates in graduate admissions, and contributes to curriculum development. Her commitment to fostering the next generation of scientists is evident in her consistent student-centered approach.

🏆 Awards and Honors

Dr. Singh has earned numerous national and institutional accolades, including the 2023 DOE Early Career Research Award, the 2024 TMS Young Leaders Professional Development Award, and several graduate fellowships from Cornell and Dow Chemical. She has been recognized for her contributions to women in applied physics, being featured in special issues and highlighted by AIP. Her students have also received competitive honors, reflecting her impact as a mentor. These awards underscore her leadership, innovation, and dedication to excellence in research and education, solidifying her status as a standout researcher in materials physics and computational science.

🔮 Legacy and Future Contributions

Dr. Singh is on a trajectory to become a defining voice in AI-enabled materials design and computational physics. Her legacy will likely include tools and frameworks that democratize high-performance computing for materials discovery. As she continues to shape research agendas at DOE centers and through editorial influence, her work will foster sustainable energy solutions, new semiconductor technologies, and broader STEM participation. With a proven record of mentoring, publishing, and innovating, Dr. Singh is building a future where data, physics, and computation converge to revolutionize how materials power the world.

Top Noted Publications

Many-body physics and machine learning enabled discovery of promising solar materials

Authors: T. Biswas, A. Gupta, and A. K. Singh*
Journal: RSC Advances
Year: 2025

Predicting the structure and stability of oxide nanoscrolls from dichalcogenide precursors

Authors: A. Gupta, and A. K. Singh*
Journal: APL Materials
Year: 2025

Atomic-Resolution Mapping of Localized Phonon Modes at Grain Boundaries

Authors: B. Haas, T. M. Boland, C. Elsasser, A. K. Singh, K. March, J. Barthel, C. T. Koch, and P. Rez
Journal: Nano Letters
Year: 2023

Ab Initio-Based Metric for Predicting the Protectiveness of Surface Films in Aqueous Media

Authors: R. Gorelik, and A. K. Singh*
Journal: npj Materials Degradation
Year: 2023

pyGWBSE: A High Throughput Workflow Package for GW-BSE Calculations

Authors: T. Biswas, and A. K. Singh*
Journal: npj Computational Materials
Year: 2023

Zhaocang Meng | Computational Methods | Best Researcher Award

Posted on 12/06/2025 by High Energy Physics

Assist. Prof. Dr. Zhaocang Meng | Computational Methods | Best Researcher Award

Institute of Modern Physics, Chinese Academy of Sciences | China

Dr. Zhaocang Meng is a materials physicist specializing in first-principles simulations, irradiation damage modeling, and additive manufacturing of advanced materials. He earned his Ph.D. in Science through a joint program between the Institute of Modern Physics, Chinese Academy of Sciences (CAS) and Lanzhou University. His research spans the atomic-scale behavior of defects, mechanical property evaluation, and high-throughput screening for material optimization. Currently based at the Institute of Modern Physics, CAS, he is an integral contributor to strategic projects funded by both national and provincial Chinese foundations.

Profile

🎓 Early Academic Pursuits

Dr. Meng began his academic journey at Northwest Normal University, majoring in Physics and Electronic Engineering, where he laid the groundwork in material science and theoretical physics. He continued his master’s studies at the Institute of Modern Physics, CAS, focusing on radiation effects and material behavior. His intellectual curiosity and growing expertise led to a Ph.D. (2018–2021) in a joint doctoral program between CAS and Lanzhou University, where he honed his skills in density functional theory (DFT) and multi-scale simulations, preparing him for a robust career in theoretical and computational materials science.

💼 Professional Endeavors

Since July 2021, Dr. Meng has served as a researcher at the Institute of Modern Physics, Chinese Academy of Sciences, contributing to major national research initiatives, including the CAS Strategic Priority Program. His role encompasses both theoretical modeling and applied computation for nuclear-grade materials, ceramics, and metallic systems. He is actively involved in Grain Boundary Segregation Engineering for SiC and BeO, and supports the development of neural network potentials. His practical contributions extend to thermophotovoltaic energy systems and irradiation-resilient structural materials, demonstrating a bridge between computational insight and real-world application.

🔬 Contributions and Research Focus

Dr. Meng’s primary contributions lie in the atomistic modeling of radiation-induced defects, grain boundary behavior, and mechanical performance of ceramics and metals. His first-principles investigations in materials like Ti₃AlC₂, BeO, SiC, and Be₁₂Ti have revealed novel insights into defect–impurity interactions, hydrogen/helium diffusion, and segregation phenomena under extreme environments. He has also made impactful strides in the development of neural network potentials for materials like SiC, allowing large-scale simulations with quantum-level accuracy. His work directly supports the advancement of materials for nuclear reactors, space missions, and extreme-condition engineering.

🌍 Impact and Influence

Dr. Meng’s work has influenced fields such as nuclear materials, condensed matter theory, and computational materials science. His articles in high-impact journals like Physical Chemistry Chemical Physics, Journal of Nuclear Materials, and RSC Advances have become key references in radiation material modeling. His collaborations across diverse domains, from hydrogen embrittlement to deep potential learning for FCC copper, highlight his versatility. The adoption of his findings in defect prediction and grain boundary design has practical implications for materials used in reactors and space technology, positioning him as a rising figure in next-generation material research.

📚 Academic Cites

With a growing body of 14+ peer-reviewed publications, Dr. Meng’s research outputs have earned significant citations in domains like irradiation defect dynamics, machine-learned interatomic potentials, and grain boundary engineering. His work on Ti₃AlC₂ and Be₁₂Ti systems has been cited for its pioneering insights into defect clusters and transmutation effects, while his 2023 papers on SiC doping and neural network-based modeling have gained traction among materials engineers and computational physicists. His interdisciplinary footprint, combining physics, chemistry, and mechanical engineering, enhances his recognition across both academic and applied research networks.

🛠️ Research Skills

Dr. Meng demonstrates mastery in first-principles methods (DFT), molecular dynamics, machine learning potentials, and multi-scale simulation frameworks. His computational toolkit includes VASP, Quantum ESPRESSO, LAMMPS, and deep learning platforms like DeePMD-kit. He excels in automated high-throughput screening, grain boundary structure prediction, and radiation damage modeling. His ability to link atomic-level processes to macroscopic properties allows him to tackle engineering problems with atomic precision. He is adept at designing simulation protocols that align with experimental validations, ensuring a feedback loop between theory and practice a critical skill in today’s data-driven research environment.

👨‍🏫 Teaching Experience

While primarily a researcher, Dr. Meng has informally mentored junior scientists and graduate students during his tenure at the Institute of Modern Physics. He has contributed to internal training modules and simulation workshops focusing on first-principles methods and materials modeling software. As his academic journey matures, he is well-positioned to engage in formal teaching or curriculum development, especially in computational material science, AI-driven simulations, and solid-state physics. His clarity in technical writing and collaborative style suggest strong potential as a future university lecturer or postgraduate supervisor.

🏅 Awards and Honors

Although specific awards are not mentioned, Dr. Meng’s selection for national strategic research programs (e.g., CAS Grant No. XDA0410000) and provincial funding initiatives like Guangdong Basic Research Foundation reflect institutional recognition of his capabilities. His consistent publication record in top-tier international journals underscores his scientific credibility. Being chosen to lead studies involving Grain Boundary Engineering and deep learning potentials in cutting-edge materials confirms his reputation among peers and senior collaborators. With this trajectory, formal honors such as Young Scientist Awards or Outstanding Researcher Fellowships are highly likely in the near future.

🔮 Legacy and Future Contributions

Dr. Zhaocang Meng is poised to leave a lasting legacy in predictive materials design. His work in irradiation resistance, grain boundary tailoring, and AI-driven material exploration sets a solid foundation for next-gen energy systems, including fusion reactors, radioisotope thermoelectric generators, and space propulsion materials. Future contributions may include cross-disciplinary collaboration with AI scientists, sustainable materials discovery, and experimental validation partnerships. His potential to transition from a leading researcher to a thought leader and educator is evident. Dr. Meng represents a new era of materials scientists who bridge theory, computation, and practical innovation.

Top Noted Publications

Segregation and aggregation behavior of impurity atoms at grain boundaries of BeO: A first-principles study

Authors: Xuejie Wang, Teng Shen, Canglong Wang, Kai He, Zhaocang Meng*, et al.
Journal: Journal of Nuclear Materials
Year: 2025

Screening and manipulation by segregation of dopants in grain boundary of Silicon carbide: First-principles calculations

Authors: Z.C. Meng, C.L. Wang, Y.L. Wang, et al.
Journal: Ceramics International
Year: 2023

First-principles investigations of oxygen interaction with hydrogen/helium/vacancy irradiation defects in Ti₃AlC₂

Authors: Zhaocang Meng, Canglong Wang, Jitao Liu, Yinlong Wang, Xiaolu Zhu, Lei Yang, Liang Huang
Journal: Physical Chemistry Chemical Physics
Year: 2021

New insight into the interaction between divacancy and H/He impurity in Ti₃AlC₂ by first-principles studies

Authors: Zhaocang Meng, Canglong Wang, Jitao Liu, Yinlong Wang, Xiaolu Zhu, Lei Yang, Liang Huang
Journal: Physical Chemistry Chemical Physics
Year: 2020

Deep potential for a face-centered cubic Cu system at finite temperatures

Authors: Y.Z. Du, Z.C. Meng, Q. Yan, et al.
Journal: Physical Chemistry Chemical Physics
Year: 2022

Mohammed A. Al-Seady | Computational Methods | Best Researcher Award

Posted on 09/06/2025 by High Energy Physics

Dr. Mohammed A. Al-Seady | Computational Methods | Best Researcher Award

PhD Student at University of Szeged/College of Science and Informatics | Hungary

Mohammed A. Al-Seady is a passionate and emerging materials scientist and computational physicist from Iraq, currently pursuing his PhD in Physics at the University of Szeged, Hungary. He serves as a researcher at the Center for Environmental Research and Studies, University of Babylon. With a Master’s degree in Molecular Sciences focusing on graphene-based materials, Al-Seady is deeply committed to advanced research in two-dimensional nanomaterials, renewable energy applications, and environmental remediation. He has authored 16 peer-reviewed articles, demonstrating his dedication to addressing critical scientific and global sustainability challenges through computational modeling and simulation techniques.

Profile

🎓 Early Academic Pursuits

Mohammed A. Al-Seady began his academic journey at the University of Babylon, where he earned his B.Sc. and M.Sc. degrees in Physics in 2015. His early fascination with nanostructures and materials science, particularly graphene, inspired him to specialize in Molecular Sciences. His academic performance and enthusiasm for scientific inquiry distinguished him early, earning him opportunities to work closely with faculty on graphene synthesis, material characterization, and fundamental physics modeling. These formative years laid a strong theoretical and experimental foundation for his future contributions in nanotechnology and computational materials physics.

💼 Professional Endeavors

Professionally, Al-Seady has held the position of Researcher at the Center for Environmental Research and Studies, University of Babylon, contributing to key environmental technology projects. Simultaneously, he is advancing his doctoral studies in Physics at the University of Szeged in Hungary. His professional path reflects a commitment to international academic collaboration, research excellence, and scientific development across both Iraq and Europe. By balancing his roles in academic research and higher education, he is establishing himself as a versatile scientist working on the intersection of theoretical physics, materials engineering, and green technology innovation.

🔬 Contributions and Research Focus

Mohammed’s research centers on two-dimensional (2D) materials such as graphene and hexagonal boron nitride (h-BN), with applied work in photovoltaics, ionic batteries, dye-sensitized solar cells (DSSCs), and gas adsorption. His work uses computational modeling tools like Gaussian09, Quantum ESPRESSO, and Materials Studio to simulate and optimize the performance of nanostructured materials. By focusing on environmental and energy applications, he contributes solutions to pollution control, energy storage, and solar energy harvesting, creating a bridge between theoretical studies and real-world environmental impact.

🌍 Impact and Influence

With 16 peer-reviewed publications, Mohammed A. Al-Seady’s research is gaining traction in the fields of computational nanomaterials, sustainable energy, and environmental technology. His interdisciplinary work helps shape the scientific discourse on the use of 2D materials in renewable energy and remediation systems. His involvement in both local research institutions and European academic networks demonstrates his ability to act as a scientific connector. Through his publications and collaborations, he is building an international research footprint and influencing future studies on green nanotechnology and computational simulations.

📚 Academic Citations

Al-Seady’s publications are indexed on Scopus and ResearchGate, reflecting a growing citation count and peer engagement. His Scopus author ID (57223213775) shows his inclusion in global citation networks, ensuring the visibility of his contributions to the academic community. Though still in the early stages of his research career, the consistent quality and relevance of his work are leading to increased citations in journals focusing on nanomaterials, computational physics, and clean energy. His scholarship is steadily building a reputation for rigor and applicability.

🧠 Research Skills

Mohammed has developed a robust technical skill set essential for advanced materials research. His proficiency in Python and C programming supports his work in numerical modeling and simulations, while tools like Quantum ESPRESSO and Gaussian09 enable him to perform high-accuracy density functional theory (DFT) calculations. His expertise extends to scientific writing, data interpretation, and computational analysis, making him an asset in both independent and collaborative projects. These skills allow him to design, model, and optimize novel nanomaterials for a wide range of energy and environmental applications.

👨‍🏫 Teaching Experience

While his profile emphasizes research, Mohammed has contributed to educational activities at the University of Babylon, supporting physics coursework and helping students understand quantum mechanics, computational modeling, and material science concepts. He has supervised undergraduate lab sessions and provided technical mentoring to research interns working on nanotechnology-related projects. His ability to translate complex scientific ideas into accessible educational content highlights his strength as an emerging educator. As he progresses in his career, his teaching contributions are expected to expand alongside his research output.

🔮 Legacy and Future Contributions

Mohammed A. Al-Seady is on a promising trajectory toward becoming a leading figure in computational materials science. His ongoing work aims to push the boundaries of 2D material applications for clean energy, sustainability, and pollution mitigation. With plans to broaden his research collaborations, mentor the next generation of scientists, and contribute to global scientific innovation, Mohammed’s legacy will likely include transformative contributions to green nanotechnology. As his career matures, he is expected to play a pivotal role in shaping scientific solutions for environmental and energy crises worldwide.

Top Noted Publications

Improved light harvesting with graphene/boron nitride nano-heteroislands: a high-efficiency photosensitizer design

Authors: Mohammed A. Al-Seady, Hayder M. Abduljalil, Hussein Hakim Abed, Mudar A. Abdullsatar, Rajaa K. Mohammad, Saif M. Hassan, Osamah J. Al-sareji, Mousumi Upadhyay Kahaly
Journal: Structural Chemistry
Year: 2024

Ethanol properties effects on its reaction with Mo-doped SnO₂ clusters: A gas sensor model

Authors: Mudar Ahmed Abdulsattar, Rashid Hashim Jabbar, Mohammed A. Al-Seady
Journal: Results in Surfaces and Interfaces
Year: 2024

Investigation of Nitrogen Dioxide Gas Sensing Characteristics in Boron Nitride and Aluminum Nitride Nanoribbons: A First Principles Study

Authors: Mohammed A. Al-Seady
Journal: Library Progress International
Year: 2024

Temperature and humidity effects on the acetone gas sensing of pristine and Pd-doped WO₃ clusters: A transition state theory study

Authors: Mudar Ahmed Abdulsattar, Hayder M. Abduljalil, Hussein Hakim Abed, Mohammed A. Al‑Seady
Journal: Journal of Molecular Modeling
Year: 2024

Unveiling the potential of graphene and S-doped graphene nanostructures for toxic gas sensing and solar sensitizer cell devices: insights from DFT calculations

Authors: S.A.A. Alsaati, Rabab Saadoon Abdoon, Eman Hamid Hussein, Hayder M. Abduljalil, Rajaa K. Mohammad, Mohammed A. Al-Seady, Ansaf N. Jasim, Noor Al-Huda Saleh, Lynet Allan
Journal: Journal of Molecular Modeling
Year: 2024

Sathish Panneer Selvam | Theoretical Advances | Best Scholar Award

Posted on 22/04/2025 by High Energy Physics

Dr. Sathish Panneer Selvam | Theoretical Advances | Best Scholar Award

Assistant Professor at Gachon university | South Korea

Dr. Sathish Panneer Selvam is a dynamic Assistant Professor at Gachon University, South Korea, specializing in electrochemical biosensors, nanomaterials, and density functional theory (DFT). With a strong foundation in experimental chemistry and computational modeling, Dr. Selvam’s interdisciplinary research bridges the gap between biomedical diagnostics and renewable energy catalysis, contributing significantly to next-generation sensor technologies.

Profile

🎓 Early Academic Pursuits

Dr. Selvam began his academic journey with a Master’s degree in Electrochemical Sensing and Water Splitting under Prof. Kyusik Yun, where he focused on DNA-based nanomaterials and self-assembled sensors. He pursued his PhD (2020–2024) under Prof. Sungbo Cho, contributing to sensor development for disease diagnostics and reaction mechanism analysis via DFT. This formative period laid the groundwork for his future breakthroughs in smart diagnostics.

💼 Professional Endeavors

Starting as a Quality Control Executive at Biocon Biopharmaceutical Ltd., Dr. Selvam transitioned seamlessly into academia. His current role as an Assistant Professor (2024–2025) at Gachon University involves leading advanced biosensing projects, such as cancer diagnostics, enzyme activity detection, and nanocomposite development. His hands-on expertise spans fabrication, characterization, and computational modeling.

🔬 Contributions and Research Focus

Dr. Selvam’s research is distinguished by its interdisciplinary depth and real-world relevance. He has designed single-atom catalyst biosensors for detecting pancreatic and breast cancer. Additionally, he has explored molecularly imprinted polymers for biomarker detection and utilized DFT and molecular dynamics to simulate reaction pathways. His development of triboelectric nanogenerators for self-powered bacterial detection reflects his ability to address critical challenges in medical diagnostics, environmental monitoring, and energy applications.

🌍 Impact and Influence

Dr. Selvam has authored 16+ peer-reviewed publications, many in high-impact journals such as Chemical Engineering Journal, Small Methods, and Biosensors and Bioelectronics, with impact factors ranging from 8 to 23. His contributions to cancer biosensing, H2 evolution, and COVID-19 detection have attracted international collaborations with researchers from UK, France, and India, solidifying his global influence.

📊 Academic Cites & Recognition

Dr. Selvam’s work is increasingly cited by peers in the fields of biosensors, nanotechnology, and theoretical chemistry. With several publications already gaining traction in the academic community, he is on track for significant citation growth and thought leadership in applied quantum chemistry and nanomedicine.

🧪 Research Skills

Dr. Selvam demonstrates a robust technical skill set that seamlessly bridges experimental techniques with computational modeling. He excels in electrochemical characterization using systems like Iviumstat, Biologics, and PARSTAT. His expertise in structural analysis includes SEM, TEM, XRD, EXAFS, and Raman spectroscopy. Additionally, he is proficient in High-Performance Liquid Chromatography (HPLC) and a variety of spectroscopic tools. On the theoretical side, he utilizes DFT simulations, molecular docking, and molecular dynamics, allowing for deep insights into complex reaction mechanisms.

🎓 Teaching Experience

As an Assistant Professor, Dr. Selvam is engaged in mentoring undergraduate and graduate students. He fosters a research-driven learning environment that encourages critical thinking, scientific writing, and interdisciplinary collaboration, essential for shaping future scientists.

🌟Patents

Dr. Selvam holds several patents, including the Chalcogenide Loaded Cobalt MOF for Patulin Mycotoxin Detection (KR Patent 10-2437215), an Electrochemical Biosensing Platform for Rheumatoid Arthritis Biomarker detection (KR Patent 10-2381031), and a Nanocomposite modified electrode for Etidronic acid detection (KR Patent 10-2475238), co-authored with Sungbo Cho and Kyusik Yun. These innovations demonstrate his expertise in biosensing, electrochemical platforms, and biomarker detection.

📘 Legacy and Future Contributions

Dr. Selvam has a strong portfolio of patents, a growing reputation in academic publishing, and a unique ability to synthesize experimental and computational insights. As a thought leader in smart biosensing and energy catalysis, his future contributions are expected to include the development of scalable diagnostic tools for global health, AI-integrated sensor platforms, and further exploration of quantum chemistry for bio-interfaces. His work promises significant advances in both healthcare and energy solutions.

Publications Top Notes

EXAFS and spectroscopic insights into Mn, Tc, and Re-doped phthalocyanines: A multifaceted DFT study of electronic and optical properties

Authors: Sathish Panneer Selvam, Zeeshan, Sungbo Cho
Journal: Surfaces and Interfaces
Year: 2025

Cerium single atom anchored silver selenide: A high-performance catalyst for hydrogen evolution reaction with ultra-low activation energy and enhanced stability

Authors: Sathish Panneer Selvam, Sungbo Cho
Journal: Surfaces and Interfaces
Year: 2024

Experimental insights and DFT analysis of metal-free DNA nanocatalyst with enhanced hydrogen evolution via phosphate-mediated proton acceptance

Authors: Sathish Panneer Selvam, Shanmugasundaram Kamalakannan, K. Rudharachari Maiyelvaganan, Muthuramalingam Prakash, Sivalingam Gopi, Hansa Mahajan, Kyusik Yun, Sungbo Cho
Journal: International Journal of Hydrogen Energy
Year: 2024

Highly Synergistic Co3+ and Pyridinic‐N‐Rich Bifunctional Electrocatalyst for Ultra‐Low Energy-Driven Effective Hydrogen Production and Urea Oxidation

Authors: Sathish Panneer Selvam, Sungbo Cho
Journal: Advanced Sustainable Systems
Year: 2022

Novel SeS2-loaded Co MOF with Au@PANI comprised electroanalytical molecularly imprinted polymer-based disposable sensor for patulin mycotoxin

Authors: Sathish Panneer Selvam
Journal: Biosensors and Bioelectronics
Year: 2021

Steephenraj Arokiyasamy | Experimental methods | Best Researcher Award

Posted on 15/04/2025 by High Energy Physics

Dr. Steephenraj Arokiyasamy | Experimental methods | Best Researcher Award

Post Doctoral Fellow at Rhodes University | South Africa

Dr. Steephenraj A. is a highly motivated and accomplished Postdoctoral Fellow in Physics at Rhodes University, South Africa, with a strong academic foundation and robust research expertise. He completed his Ph.D. in Physics from the prestigious SSN Research Centre, affiliated with Anna University, Chennai, with a focus on Nonlinear Optical (NLO) materials and third harmonic generation applications. His academic journey is a testament to a profound dedication to science, teaching, and research excellence.

Profile

🎓 Early Academic Pursuits

Dr. Steephenraj laid his academic foundation with a B.Sc. and M.Sc. in Physics, graduating with First Class honors from A.V.C College and Poombuhar College, respectively, both affiliated with Bharathidasan University. He further pursued an M.Phil in Physics from St. Joseph’s College, Trichy, refining his interest in experimental and computational physics. These formative years shaped his strong analytical mindset and commitment to scientific inquiry.

👨‍🏫 Professional Endeavors

With a commendable academic trajectory, Dr. Steephenraj has held the position of Assistant Professor at several esteemed institutions such as Mohamed Sathak A.J. College of Engineering and St. Joseph’s College of Arts and Science, Chennai. His tenure in these roles reflects a commitment to integrating teaching with cutting-edge research, nurturing young scientific minds, and contributing to curriculum development in Physics and Computer Applications.

🔬 Contributions and Research Focus

Dr. Steephenraj’s Ph.D. thesis stands out as a substantial contribution to the field of materials science and nonlinear optics, with a special focus on imidazolium-based dicarboxylic acid derivative single crystals. His research blends experimental crystal growth techniques (like slow evaporation) with computational methods such as Density Functional Theory (DFT). The work revolves around Third Harmonic Generation (THG)—a process vital to optical imaging, telecommunications, and laser frequency conversion. His investigations into 2MIMDT, IMSU, and 2MIO crystals have uncovered significant insights into their optical, structural, and thermal behaviors.

🌍 Impact and Influence

His research has not only been published in high-impact journals like Journal of Molecular Structure, Chemical Papers, and Journal of Materials Science: Materials in Electronics, but has also been acknowledged through citations and collaborations. His work contributes meaningfully to the global understanding of nonlinear optical materials and promotes advancements in laser-based technologies.

📚 Academic Citations

Dr. Steephenraj has authored over 6 peer-reviewed journal papers, many of which are indexed in Scopus and have a respectable impact factor ranging from 1.9 to 4.0. Notable among these is his work on Imidazolium Hydrogen Succinate and 2-Methylimidazolium D-Tartrate, which have been cited by fellow researchers in the field of nonlinear optics and computational material studies.

🧪 Research & Analytical Skills

He possesses hands-on expertise in advanced scientific instrumentation and software tools such as:

Wilson Vickers Hardness Tester, Z-scan, UV–Visible NIR, FT-IR, SEM, TG/DTA
Computational Tools: Gaussian 09W, GaussView, Quantum ESPRESSO, Mercury, Crystal Explorer, Bilbao Crystallographic Server, and more.

These skills have enabled him to successfully characterize materials and simulate molecular properties to predict optical behavior with high precision.

👨‍🏫 Teaching Experience

Dr. Steephenraj has rich teaching experience spanning several years, covering both undergraduate and postgraduate curricula in Physics and Computer Applications. He is recognized for his concept-based approach, emphasizing hands-on learning, student engagement, and the integration of research with teaching. He has also guided M.Sc. and Ph.D. students, showcasing his capability as a mentor and academic leader.

🏆 Awards and Honors

His dedication to academics and research has earned him prestigious accolades such as:

Best Teacher Award (2022–2023) – Mohamed Sathak AJ College of Engineering.
Best Poster Award – Jeppiaar Engineering College (2018).
Resource Person for national and international conferences and faculty development programs.

These accolades reflect his outstanding performance in academia and research dissemination.

🧭 Legacy & Future Contributions

Looking ahead, Dr. Steephenraj aspires to make significant contributions in advanced materials science and optical physics, with goals aligned toward sustainable technologies and global collaborations. His long-term vision includes becoming a leading research scientist and an academic policy influencer, helping shape the future of science education and innovative research in Physics.

Publications Top Notes

Studies on the Growth, Structural, Optical and Quantum chemical investigations of 2-Methylimidazolium D-Tartrate Single Crystal for SHG applications

Authors: A. Steephenraj, S. Chinnasami, Rajesh Paulraj
Journal: Journal of Materials Science: Materials in Electronics
Year: 2022

Growth, structural, vibrational, characterization and DFT investigations of 2-methylimidazolium hydrogen oxalate dihydrate (2MIO) single crystal – towards third order NLO applications

Authors: A. Steephenraj, S. Chinnasami, P. Rajesh, S.S.J. Dhas
Journal: Journal of Molecular Structure
Year: 2023

Synthesis and optical Properties of Tin oxide thin films nanoparticles

Authors: A. Steephenraj, P. Rajendhiran
Journal: Journal for Advanced Research in Applied Science

Growth of High Quality KADP Mixed Crystals Grown by Conventional and Sankaranayanan-Ramasamy (SR) Methods for Nonlinear Optical Applications

Authors: T.S. Franklin Rajesh, J.S. Dhas, A. Steephenraj, R. Senthamizhselvi, A. Sivakumar, R.S. Kumar, Abdulrahman I. Almansour
Journal: Journal of Optical Materials
Year: 2024

2-Methylimidazolium hydrogen succinate single crystal growth and DFT insight for NLO applications

Authors: K. Sowmiya, A. Steephenraj, M. Avinash, R. Gunaseelan, P. Sanjay
Journal: Journal of Molecular Physics
Year: 2025

Hoc Nguyen | Computational Methods | Best Researcher Award

Posted on 29/03/2025 by High Energy Physics

Assoc. Prof. Dr. Hoc Nguyen | Computational Methods | Best Researcher Award

Senior Lecturer at Hanoi National University of Education | Vietnam

Nguyen Quang Hoc D, Assoc. Prof. PhD, is a distinguished academic and researcher in the field of Theoretical Physics. He currently holds the position of High-ranking Lecturer at the Department of Theoretical Physics, Faculty of Physics, at the Hanoi National University of Education, where he has contributed extensively to both teaching and research since 2009. His academic journey reflects a deep commitment to physics, spanning over decades of study and experience in solid-state physics, theoretical physics, and mechanical properties of materials.

Profile

Early Academic Pursuits 🎓

Nguyen Quang Hoc D embarked on his academic career with a solid foundation in solid-state physics, earning his Engineer degree from Hanoi University of Technology in 1982. His deep interest in theoretical physics led him to pursue advanced studies at the Hanoi National University of Education, where he completed his Master’s degree in Theoretical Physics in 1989 and later achieved his PhD in 1994, further honing his expertise in the field.

Professional Endeavors 💼

His professional career began in 1983 at the College of Teacher Training (now Haiphong University), where he served as a Lecturer and Head of the Physical Laboratory until 1994. Later, he joined the Institute of Nuclear Science and Technique, VINATOM in 1994, contributing as a Researcher. In 1997, he transitioned to the Department of Scientific Management, Faculty of Physics at Hanoi National University of Education, where he took on roles as an Expert and Principal Lecturer until he became an Associate Professor in 2009. Since 2016, he has remained in his current capacity as a High-ranking Lecturer at the university.

Contributions and Research Focus 🔬

Prof. Nguyen Quang Hoc D has focused much of his research on mechanical and thermodynamic properties of metals and interstitial alloys, particularly through the statistical moment method. His work has provided valuable insights into the transport properties of superconductors and how artificial nanostructures can influence these properties. His research has significant implications in materials science, particularly in understanding how nanostructures can improve the performance of superconductors in real-world applications.

Impact and Influence 🌍

With a career spanning more than three decades, Assoc. Prof. Nguyen Quang Hoc D has made lasting contributions to both academic research and teaching. His work on superconductors and nanostructure materials has advanced our understanding of the mechanical and thermodynamic properties of advanced materials. His findings have opened the door for further studies in nanotechnology and material science, positioning him as a leading figure in the development of advanced materials in the Vietnamese academic community.

Academic Citations 📚

Prof. Nguyen Quang Hoc D has earned recognition for his work, resulting in numerous academic citations and publications in international journals related to materials physics. His contributions to the field of theoretical physics have significantly impacted the understanding of interstitial alloys, superconductivity, and the behavior of metals under extreme conditions, making him a respected authority in his field.

Research Skills 🧠

Assoc. Prof. Nguyen Quang Hoc D possesses advanced research skills in statistical methods, materials characterization, and nanotechnology. His expertise includes the application of the statistical moment method to study the thermodynamic behavior of materials, allowing him to analyze and predict the mechanical properties of metals and alloys under various conditions. He has also worked on superconductivity, making contributions to transport properties and the influence of nanostructure pinning on type-II superconductors.

Teaching Experience 👨‍🏫

Assoc. Prof. Nguyen Quang Hoc D has a wealth of teaching experience, spanning over two decades at the Hanoi National University of Education. He has taught a range of undergraduate and graduate courses in theoretical physics and solid-state physics, providing students with foundational knowledge while also challenging them with cutting-edge concepts in the field. His role as a mentor and principal lecturer has helped shape the next generation of physicists and scientists in Vietnam.

Awards and Honors 🏅

Throughout his career, Assoc. Prof. Nguyen Quang Hoc D has been the recipient of various awards and honors in recognition of his contributions to the field of physics. His dedication to both research and teaching has earned him respect within the academic community, and he continues to inspire those around him with his innovative research and commitment to excellence.

Legacy and Future Contributions 🌱

As Assoc. Prof. Nguyen Quang Hoc D continues his work at Hanoi National University of Education, his legacy remains rooted in his innovative research, teaching dedication, and academic leadership. Moving forward, he is expected to continue influencing the field of material science, particularly in the realms of superconductivity and nanotechnology. His future contributions will undoubtedly lead to advancements in the understanding of metals, alloys, and superconductive materials, strengthening the scientific community in Vietnam and beyond.

Publications Top Notes

On the Melting of Crystal Under Compression: SMM Fundamental Theory and its Application to Laser Materials Processing

Authors: Nguyen Quang Hoc, Le Hong Viet
Journal: Transactions of the Indian Institute of Metals
Year: 2025

Theoretical predictions of thermodynamic properties, elastic deformation, HCP-FCC structural phase transition and melting of iron at high temperatures up to 18000 K and high pressures up to 4000 GPa

Authors: Nguyen Quang Hoc, Nguyen Duc Trung, Hua Xuan Dat, Le Thu Lam
Journal: Physics Letters A
Year: 2025

Correction: Thermodynamic properties of perovskite MgSiO3 with cubic structure under extreme conditions

Authors: Quang Hoc Nguyen, Nhi Quynh Ngo, Thi Mai Dao, Cong Vien Tran, Thi Thu Tra Lai, Thi Van Anh Le, Thi Thuy An Nguyen
Journal: The European Physical Journal B
Year: 2024

Thermodynamic properties of perovskite MgSiO3 with cubic structure under extreme conditions

Authors: Hoc Quang Nguyen, Nhi Quynh Ngo, Mai Thi Dao, Vien Cong Tran, Tra Thi Thu Lai, Anh Thi Van Le, An Thi Thuy Nguyen
Journal: The European Physical Journal B
Year: 2024

Study on Remelting of Crystal Under Extreme Conditions

Authors: Hoc Quang Nguyen, Huyen Thanh Thi Tran, Nhi Quynh Ngo, Mai Thi Dao, Phong Khac Nguyen
Journal: Transactions of the Indian Institute of Metals
Year: 2024

Muhammad Yar Khan | Computational Methods | Best Researcher Award

Posted on 24/03/2025 by High Energy Physics

Assoc. Prof. Dr. Muhammad Yar Khan | Computational Methods | Best Researcher Award

Associate Professor at Qilu institute of Technology | China

Dr. Hafiz Muhammad Yar Khan is an accomplished Materials Scientist and Associate Professor in Physics, with an extensive background in Density Functional Theory (DFT) Materials Modeling. He completed his Ph.D. in Materials Science Engineering at Zhejiang University, China (2023), which is ranked 41st in the QS World University Rankings (2022). His research is focused on novel 2D materials, energy storage materials, and the optical and magnetic properties of advanced materials, with significant contributions to the fields of spintronics, energy storage, and 2D magnetic materials.

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