Iyakutti Kombiah | Materials Chemistry | Lifetime Achievement Award

Dr. Iyakutti Kombiah | Materials Chemistry | Lifetime Achievement Award

Dr. Iyakutti Kombiah | SRM Institute of Science and Technology | India

Dr. Iyakutti Kombiah, an eminent physicist and computational materials scientist, has made outstanding contributions to condensed matter physics, nanomaterials, and energy storage research, with a career spanning over four decades. He obtained his M.Sc. and Ph.D. in Physics from the University of Madras, followed by postdoctoral research in quantum chemistry at Uppsala University, Sweden, supported by SIDA. He served as Lecturer at the University of Madras, Reader and Professor at Madurai Kamaraj University, and later as Professor Emeritus and CSIR Emeritus Scientist at SRM University. His pioneering expertise lies in computational design and experimental validation of nanomaterials for hydrogen storage, photovoltaics, and CO₂ conversion, demonstrated through his leadership of multiple AOARD and ONRG-funded international projects. A prolific scholar with over 229 publications, 1,804 citations, and an h-index of 24, his research continues to influence the fields of energy materials and quantum chemistry. Dr. Iyakutti has held visiting positions at leading institutions in Japan, Canada, and the USA, fostering global collaborations. His recent works (2020–2025) focus on graphene-based hydrogen storage, Heusler alloys, and 2D nanomaterials, combining density functional theory with experimental studies. Honored with CSIR and UGC Emeritus Fellowships, he remains a leading figure advancing computational and sustainable energy materials research in India and beyond.

Profile: ORCID  | Scopus 

Featured Publications

  • Iyakutti, K., Reji, R. P., Rajeswarapalanichamy, R., & Kawazoe, Y. (2025). DFT based computational investigation of 2D monolayer gold (Au)–the goldene. Computational Condensed Matter, 25, e01132.

  • Iyakutti, K., Reji, R. P., Jayan, S., AjayJawahar, K., Karthigeyan, A., Rajeswarapalanichamy, R., & Kawazoe, Y. (2025). Heterostructuring, electronic and hydrogen storage properties of boron, carbon, nitrogen based 2D nanomaterials – A DFT study. International Journal of Computational Materials Science and Engineering, 14(3), 2550028.

  • Iyakutti, K., Reji, R. P., Rajeswarapalanichamy, R., & Kawazoe, Y. (2025, February 26). DFT based computational investigation of 2D monolayer gold (Au)–the goldene. Preprint.

  • Kaliyaperumal, A., Periyasamy, G., Iyakutti, K., & Annamalai, K. (2024). Effect of a mesoporous NiCo₂O₄ urchin-like structure catalyzed with a surface oxidized LiBH₄ system for reversible hydrogen storage applications. RSC Advances, 14, 12345–12354.

  • Iyakutti, K., Reji, R. P., AjayJawahar, K., Lakshmi, I., Rajeswarapalanichamy, R., Surya, V. J., Karthigeyan, A., & Kawazoe, Y. (2024). Interaction of H, H₂, and MgH₂ with graphene and possible application to hydrogen storage—A density functional computational investigation. International Journal of Quantum Chemistry, 124(15), e27467.

 

 

 

Prof. WILLIAM GODDARD | Computational Chemistry | Best Researcher Award

Prof. WILLIAM GODDARD | Computational Chemistry| Best Researcher Award

Prof. WILLIAM GODDARD , California Institute of Technology, United States

William A. Goddard, III is the Charles and Mary Ferkel Professor of Chemistry, Materials Science, and Applied Physics at Caltech. With over six decades of groundbreaking research, he is a pioneer in theoretical chemistry and materials science. He has led the Materials and Process Simulation Center since 1990, driving advancements in nanotechnology, quantum molecular science, and catalysis. Dr. Goddard’s interdisciplinary work bridges physics, chemistry, and engineering, earning him recognition as one of the world’s top scientists. His prolific career includes 1673 publications, 33 patents, and numerous accolades, including the prestigious Horizon Prize from the Royal Society of Chemistry in 2024.

Professional Profile

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Summary of Suitability for Award:

William A. Goddard, III is an exemplary candidate for the “Best Researcher Awards” due to his unparalleled contributions to theoretical chemistry, materials science, and nanotechnology. With over 1,673 publications, an H-index of 196, and I-10 index of 1,446, his research impact is globally recognized. His pioneering computational methods, including molecular dynamics and quantum simulations, have revolutionized fields like catalysis, renewable energy, and nanomaterials. He has seamlessly bridged theoretical and applied sciences, solving real-world problems across disciplines.William A. Goddard, III embodies the qualities of a distinguished researcher: groundbreaking discoveries, a prolific publication record, global recognition, and transformative impact. His contributions have shaped modern science and technology, making him an exceptional choice for the “Best Researcher Awards.”

🎓Education:

William A. Goddard, III earned a B.S. in Engineering (Highest Honors) from UCLA in 1960, demonstrating exceptional aptitude in interdisciplinary sciences. He pursued his Ph.D. in Engineering Science with a minor in Physics at Caltech, completing his doctorate in October 1964. During his doctoral journey, he delved into theoretical chemistry, pioneering methods that combined computational and physical principles. Post-Ph.D., he was appointed the Alfred A. Noyes Research Fellow of Chemistry at Caltech (1964-1966), focusing on advanced molecular theories. This formative education laid the foundation for his extensive contributions to materials science, catalysis, and nanotechnology.

🏢Work Experience:

William A. Goddard, III has dedicated his career to Caltech, holding several prestigious roles since 1967. He began as an Assistant Professor of Theoretical Chemistry, progressing to a full professorship in 1978. From 1984-2001, he served as the Charles and Mary Ferkel Professor of Chemistry and Applied Physics, a title he continues to hold today. As Director of the Materials and Process Simulation Center (MSC) since 1990, he has spearheaded computational methods in materials science. He also led NSF research groups (1992-1997) and oversaw major Grand Challenge Applications initiatives. Beyond Caltech, his global impact includes roles such as the IISc-DST Centenary Chair Professor at the Indian Institute of Science and a World Class University Professor at KAIST. His mentorship has fostered interdisciplinary collaboration and innovation worldwide.

🏅Awards: 

Dr. Goddard has received numerous accolades, including election to the National Academy of Sciences (1984) and the Royal Society of Chemistry Fellowship (2008). Notable awards include the Feynman Prize for Nanotechnology Theory (1999), NASA Space Sciences Awards (2000, 2009, 2012), and the ACS Award for Theoretical Chemistry (2007). His achievements extend internationally, such as an honorary doctorate from Uppsala University, Sweden (2004). He is consistently named a Clarivate Highly Cited Researcher (2018-2021) and was ranked #13 globally among chemistry scientists in 2023 by Research.com. In 2024, Dr. Goddard received the Horizon Prize from the Royal Society of Chemistry, recognizing his transformative contributions to theoretical chemistry.

🔬Research Focus:

William A. Goddard, III’s research focuses on developing theoretical methods and computational models for solving complex problems in chemistry, physics, and materials science. He pioneered molecular dynamics simulations, quantum mechanics applications, and catalysis studies, advancing fields such as nanotechnology and renewable energy. Key contributions include the design of new catalysts for sustainable processes, computational methods for polymers and alloys, and innovations in quantum molecular simulations. His interdisciplinary work addresses challenges in energy efficiency, water sustainability, and biomedical applications. By combining theory with experimentation, he bridges fundamental science and practical applications, influencing fields from aerospace to pharmaceuticals.

Publication Top Notes:

“UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations”
Authors: AK Rappé, CJ Casewit, KS Colwell, WA Goddard III, WM Skiff
Citations: 11,397
Year: 1992

“DREIDING: a generic force field for molecular simulations”
Authors: SL Mayo, BD Olafson, WA Goddard
Citations: 7,687
Year: 1990

“ReaxFF: a reactive force field for hydrocarbons”
Authors: ACT Van Duin, S Dasgupta, F Lorant, WA Goddard
Citations: 6,564
Year: 2001

“Starburst dendrimers: molecular-level control of size, shape, surface chemistry, topology, and flexibility from atoms to macroscopic matter”
Authors: DA Tomalia, AM Naylor, WA Goddard III
Citations: 4,707
Year: 1990

“Charge equilibration for molecular dynamics simulations”
Authors: AK Rappé, WA Goddard III
Citations: 3,743
Year: 1991

“Silicon nanowires as efficient thermoelectric materials”
Authors: AI Boukai, Y Bunimovich, J Tahir-Kheli, JK Yu, WA Goddard III, JR Heath
Citations: 3,474
Year: 2008

“Advances in molecular quantum chemistry contained in the Q-Chem 4 program package”
Authors: Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, …
Citations: 3,223
Year: 2015

“ReaxFF reactive force field for molecular dynamics simulations of hydrocarbon oxidation”
Authors: K Chenoweth, ACT Van Duin, WA Goddard
Citations: 2,614
Year: 2008

“Catalysis research of relevance to carbon management: progress, challenges, and opportunities”
Authors: H Arakawa, M Aresta, JN Armor, MA Barteau, EJ Beckman, AT Bell, …
Citations: 1,675
Year: 2001

“Thermal conductivity of carbon nanotubes”
Authors: J Che, T Cagin, WA Goddard III
Citations: 1,535
Year: 2000