基本信息
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Bio
My research is focused on predicting and explaining the properties of materials using computer simulation, chiefly using atomistic and quantum-mechanics based methods. These methods use little or no experimental data, making them especially valuable for the study of new materials and devices, and for computing properties that are particularly difficult or expensive to access experimentally. Materials and molecules of interest include all systems of energy relevance (batteries, supercapacitors, quantum materials, catalysis, superconductors, structural materials, photovoltaics...). Many of these system pose an acute challenge to established theory and simulation methods, greatly limiting our ability to predict and optimize their properties.
Research Interests
Papers共 345 篇Author StatisticsCo-AuthorSimilar Experts
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Brian C Wyatt,Matthew G Boebinger,Zachary D Hood,Shiba Adhikari,Paweł Piotr Michałowski,Srinivasa Kartik Nemani,Murali Gopal Muraleedharan, Annabelle Bedford, Wyatt J Highland,Paul R C Kent,Raymond R Unocic,Babak Anasori
Nature Communicationsno. 1 (2024): 1-12
Journal of chemical theory and computation (2024)
arXiv (Cornell University)no. 8 (2024): 6967-6976
arxiv(2024)
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Journal of chemical theory and computation (2024)
arXiv (Cornell University) (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)
PHYSICAL CHEMISTRY CHEMICAL PHYSICSno. 8 (2024): 6967-6976
Scientific reportsno. 1 (2023): 6703
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Author Statistics
#Papers: 344
#Citation: 18177
H-Index: 60
G-Index: 125
Sociability: 7
Diversity: 3
Activity: 71
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