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Research is focused on predicting and explaining the properties of materials using computer simulation. Over the last two decades, advances in simulation techniques coupled with increasing computer power have led to several methods able predict physical properties of real materials to a useful accuracy. Moreover, these methods use little or no experimental data, making them especially valuable for the study of new materials and devices. I specialise in the application and development of these so-called "first principles" methods.
Research Interests
Papers共 342 篇Author StatisticsCo-AuthorSimilar Experts
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FUTURE GENERATION COMPUTER SYSTEMS-THE INTERNATIONAL JOURNAL OF ESCIENCE (2025)
Noah Oyeniran, Oyshee Chowdhury, Chongze Hu, Traian Dumitrica, Panchapakesan Ganesh,Jacek Jakowski,Zhongfang Chen,Raymond R. Unocic,Michael Naguib,Vincent Meunier,Yury Gogotsi,Paul R. C. Kent, Bobby G. Sumpter, Jingsong Huang
arxiv(2025)
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JOURNAL OF CHEMICAL THEORY AND COMPUTATIONno. 17 (2024): 7416-7429
arXiv (Cornell University) (2024)
Physical Chemistry Chemical Physicsno. 8 (2024): 6967-6976
arXiv (Cornell University) (2024)
JOURNAL OF CHEMICAL THEORY AND COMPUTATIONno. 2 (2024): 651-664
Nature Communicationsno. 1 (2024)
Kamal Choudhary,Daniel Wines,Kangming Li,Kevin F. Garrity,Vishu Gupta,Aldo H. Romero,Jaron T. Krogel,Kayahan Saritas,Addis Fuhr,Panchapakesan Ganesh,Paul R. C. Kent,Keqiang Yan,Yuchao Lin,Shuiwang Ji,Ben Blaiszik,Patrick Reiser,Pascal Friederich,Ankit Agrawal,Pratyush Tiwary,Eric Beyerle,Peter Minch,Trevor David Rhone,Ichiro Takeuchi,Robert B. Wexler,Arun Mannodi-Kanakkithodi,Elif Ertekin,Avanish Mishra,Nithin Mathew,Mitchell Wood, Andrew Dale Rohskopf,Jason Hattrick-Simpers,Shih-Han Wang,Luke E. K. Achenie,Hongliang Xin,Maureen Williams,Adam J. Biacchi,Francesca Tavazza
NPJ COMPUTATIONAL MATERIALSno. 1 (2024)
The Journal of Chemical Physicsno. 11 (2023)
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Author Statistics
#Papers: 342
#Citation: 17689
H-Index: 60
G-Index: 123
Sociability: 7
Diversity: 3
Activity: 18
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