Zobrazeno 1 - 2
of 2
pro vyhledávání: '"Anthony Avarca"'
Autor:
Aditya Koneru, Rohit Batra, Sukriti Manna, Troy D. Loeffler, Henry Chan, Michael Sternberg, Anthony Avarca, Harpal Singh, Mathew J. Cherukara, Subramanian K. R. S. Sankaranarayanan
Publikováno v:
The Journal of Physical Chemistry Letters. 13:1886-1893
We introduce a multi-reward reinforcement learning (RL) approach to train a flexible bond-order potential (BOP) for 2D phosphorene based on ab initio training data sets. Our approach is based on a continuous action space Monte Carlo tree search algor
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7ad025ba8664b697bfe366fd2b34332b
https://doi.org/10.1021/acs.jpclett.1c03551
https://doi.org/10.1021/acs.jpclett.1c03551
Autor:
Badri Narayanan, Subramanian K. R. S. Sankaranarayanan, Michael Sternberg, Anthony Avarca, Henry Chan, Troy D. Loeffler, Mathew J. Cherukara
Publikováno v:
MRS Advances. 6:21-31
The ever-increasing power of supercomputers coupled with highly scalable simulation codes has made molecular dynamics an indispensable tool in applications ranging from predictive modeling of materials to computational design and discovery of new mat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::725ca204ee1c531b7b74ff9c3ede9e70
https://doi.org/10.1557/s43580-020-00002-z
https://doi.org/10.1557/s43580-020-00002-z