Zobrazeno 1 - 10
of 47
pro vyhledávání: '"Jonathan P Mailoa"'
Autor:
Lars A Bratholm, Will Gerrard, Brandon Anderson, Shaojie Bai, Sunghwan Choi, Lam Dang, Pavel Hanchar, Addison Howard, Sanghoon Kim, Zico Kolter, Risi Kondor, Mordechai Kornbluth, Youhan Lee, Youngsoo Lee, Jonathan P Mailoa, Thanh Tu Nguyen, Milos Popovic, Goran Rakocevic, Walter Reade, Wonho Song, Luka Stojanovic, Erik H Thiede, Nebojsa Tijanic, Andres Torrubia, Devin Willmott, Craig P Butts, David R Glowacki
Publikováno v:
PLoS ONE, Vol 16, Iss 7, p e0253612 (2021)
The rise of machine learning (ML) has created an explosion in the potential strategies for using data to make scientific predictions. For physical scientists wishing to apply ML strategies to a particular domain, it can be difficult to assess in adva
Externí odkaz:
https://doaj.org/article/7bd641a416ff403b90f3c0a0e9726773
Autor:
LingJun Wu, ZhenMing Xu, ZiXuan Wang, ZiJian Chen, ZhiChao Huang, Chao Peng, XiangDong Pei, XiangGuo Li, Jonathan P. Mailoa, Chang-Yu Hsieh, Tao Wu, Xue-Feng Yu, HaiTao Zhao
Publikováno v:
Science China Technological Sciences. 65:2274-2296
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8f0eed3e254d1cd75e23604668965166
https://doi.org/10.1007/s11431-022-2095-7
https://doi.org/10.1007/s11431-022-2095-7
Publikováno v:
Chemistry of Materials. 33:6662-6670
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bbd9169dde831ef02d08ec9cc224a258
https://doi.org/10.1021/acs.chemmater.1c00431
https://doi.org/10.1021/acs.chemmater.1c00431
Autor:
Charles Forsberg, Jonathan P. Mailoa, Qing-Jie Li, Ju Li, Stephen T. Lam, Ronald G. Ballinger
Publikováno v:
Journal of Materials Chemistry A. 9:1784-1794
Interest in molten salts has increased significantly over the last decade due to their potential application in various clean-energy technologies including hydrogen generation, solar heat storage, advanced fission nuclear power plants, and compact fu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e4be3294b92acbef9c4a2ddffb536b61
https://doi.org/10.1039/d0ta10576g
https://doi.org/10.1039/d0ta10576g
Autor:
Daniel A. Gribble, Madhusudan Tyagi, Scott Mullin, Nitash P. Balsara, Hiroshi Watanabe, Georgy Samsonidze, Boris Kozinsky, Jonathan P. Mailoa, Katrina Irene S. Mongcopa
Publikováno v:
ACS macro letters. 7(4)
Quasi-elastic neutron scattering experiments on mixtures of poly(ethylene oxide) and lithium bis(trifluoromethane)sulfonimide salt, a standard polymer electrolyte, led to the quantification of the effect of salt on segmental dynamics in the 1–10 A
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::90fdba87d633ad9dab32e05965778e29
https://pubmed.ncbi.nlm.nih.gov/35619350
https://pubmed.ncbi.nlm.nih.gov/35619350
Autor:
Simon Batzner, Albert Musaelian, Lixin Sun, Mario Geiger, Jonathan P. Mailoa, Mordechai Kornbluth, Nicola Molinari, Tess E. Smidt, Boris Kozinsky
Publikováno v:
Nature communications, vol 13, iss 1
An E(3)-equivariant deep learning interatomic potential is introduced for accelerating molecular dynamics simulations. The method obtains state-of-the-art accuracy, can faithfully describe dynamics of complex systems with remarkable sample efficiency
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::287eb0c7e6a9db048ce9b8fee3e6dd3d
https://doi.org/10.1038/s41467-022-29939-5
https://doi.org/10.1038/s41467-022-29939-5
Publikováno v:
Journal of Power Sources. 428:27-36
Strong ionic interactions in concentrated ionic liquids is shown to result in significant correlations and deviations from ideal solution behavior. We use rigorous concentrated solution theory coupled with molecular dynamics simulations to compute an
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::70ef8b34b39871d8d00865953ac30ac4
https://doi.org/10.1016/j.jpowsour.2019.04.085
https://doi.org/10.1016/j.jpowsour.2019.04.085
Autor:
Nicola Molinari, Jonathan P. Mailoa, Boris Kozinsky, William A. Goddard, Jeffrey C. Grossman, Francesco Faglioni, Eric Fadel, Boris V. Merinov, Georgy Samsonidze
Publikováno v:
Nature Communications, Vol 10, Iss 1, Pp 1-10 (2019)
Nature Communications
Nature Communications
Electrochemical stability windows of electrolytes largely determine the limitations of operating regimes of lithium-ion batteries, but the degradation mechanisms are difficult to characterize and poorly understood. Using computational quantum chemist
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3ad6ff0ce4804e0dfdea9e16b6f7a170
http://link.springer.com/article/10.1038/s41467-019-11317-3
http://link.springer.com/article/10.1038/s41467-019-11317-3
Autor:
Boris Kozinsky, Chris Wolverton, Cheol Woo Park, Mordechai Kornbluth, Jonathan P. Mailoa, Jonathan Vandermause
Publikováno v:
npj Computational Materials, Vol 7, Iss 1, Pp 1-9 (2021)
Recently, machine learning (ML) has been used to address the computational cost that has been limiting ab initio molecular dynamics (AIMD). Here, we present GNNFF, a graph neural network framework to directly predict atomic forces from automatically
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::87f72e2eeb5a4a8a297f006f4081bcd0
https://doi.org/10.1038/s41524-021-00543-3
https://doi.org/10.1038/s41524-021-00543-3
Autor:
Mordechai Kornbluth, Simon Batzner, Boris Kozinsky, Jonathan P. Mailoa, Nicola Molinari, Lixin Sun, Tess Smidt
This work presents Neural Equivariant Interatomic Potentials (NequIP), a SE(3)-equivariant neural network approach for learning interatomic potentials from ab-initio calculations for molecular dynamics simulations. While most contemporary symmetry-aw
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1addaf427055d7ef1e6fe91cfd80d3c1
https://doi.org/10.21203/rs.3.rs-244137/v1
https://doi.org/10.21203/rs.3.rs-244137/v1
