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My expertise is in atomistic simulation, particularly in multi scale modelling that couples quantum mechanics to larger length scales. I am currently engaged in applying machine learning and other data intensive techniques to materials modelling problems, such as deriving force fields (interatomic potentials) from ab initio electronic structure data. Also interested in statistical problems in molecular dynamics, e.g. in enhanced sampling algorithms that can be used explore the global configuration space of materials and molecules.
Research Interests
Papers共 100 篇Author StatisticsCo-AuthorSimilar Experts
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WonMo Ahn, Faith N Burnett, Ajay Pandey,Pushpankur Ghoshal,Bhupesh Singla,Abigayle B Simon,Cassandra C Derella, Stephen A Addo,Ryan A Harris,Rudolf Lucas,Gábor Csányi
Rami A. Shahror,Esraa Shosha,Carol Morris, Melissa Wild, Shengyu Mu,Gabor Csanyi, Marjan Boerma, Nancy J. Rusch,Abdelrahman Y. Fouda
Journal of Neuroinflammationno. 1 (2024): 1-21
Stephen Haigh, Zach L. Brown, Mitch A. Shivers,Hunter G. Sellers,Madison A. West,Scott A. Barman,David W. Stepp,Gabor Csanyi,David J. R. Fulton
Antioxidants (Basel, Switzerland)no. 9 (2023): 1689-1689
Function (Oxford, England)no. 6 (2023): zqad050-zqad050
David Kim,Tetsuo Horimatsu,Mourad Ogbi,Brandee Goo, Hong Shi,Praneet Veerapaneni, Ronnie Chouhaita,Mary Moses, Rosaria Prasad,Tyler W Benson, Ragheb Harb, Ghaith Aboud,
bioRxiv : the preprint server for biology (2023)
INVESTIGATIVE OPHTHALMOLOGY & VISUAL SCIENCEno. 8 (2023)
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