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Journal Articles
- 2021
[j2]Denghui Lu
, Han Wang, Mohan Chen, Lin Lin, Roberto Car, Weinan E, Weile Jia, Linfeng Zhang:
86 PFLOPS Deep Potential Molecular Dynamics simulation of 100 million atoms with ab initio accuracy. Comput. Phys. Commun. 259: 107624 (2021)- 2005
- [j1]Philip S. Hammond, Yudong Wu, Rebecca Harris, Todd J. Minehardt, Roberto Car, Jeffrey D. Schmitt:
Protonation-induced stereoisomerism in nicotine: Conformational studies using classical (AMBER) and ab initio (Car-Parrinello) molecular dynamics. J. Comput. Aided Mol. Des. 19(1): 1-15 (2005)
Conference and Workshop Papers
- 2020
- [c3]Weile Jia, Han Wang, Mohan Chen, Denghui Lu, Lin Lin, Roberto Car, Weinan E, Linfeng Zhang:
Pushing the limit of molecular dynamics with ab initio accuracy to 100 million atoms with machine learning. SC 2020: 5 - 2018
- [c2]Linfeng Zhang, Jiequn Han, Han Wang, Wissam Saidi, Roberto Car, Weinan E:
End-to-end Symmetry Preserving Inter-atomic Potential Energy Model for Finite and Extended Systems. NeurIPS 2018: 4441-4451 - 2009
- [c1]Roberto Car, Michele Parrinello:
Fernbach award. SC 2009
Informal and Other Publications
- 2020
- [i3]Denghui Lu, Han Wang, Mohan Chen, Jiduan Liu, Lin Lin, Roberto Car, Weinan E, Weile Jia, Linfeng Zhang:
86 PFLOPS Deep Potential Molecular Dynamics simulation of 100 million atoms with ab initio accuracy. CoRR abs/2004.11658 (2020) - 2018
- [i2]Linfeng Zhang, De-Ye Lin, Han Wang, Roberto Car, Weinan E:
Active Learning of Uniformly Accurate Inter-atomic Potentials for Materials Simulation. CoRR abs/1810.11890 (2018) - 2017
- [i1]Linfeng Zhang, Jiequn Han, Han Wang, Roberto Car, Weinan E:
Deep Potential Molecular Dynamics: a scalable model with the accuracy of quantum mechanics. CoRR abs/1707.09571 (2017)
Coauthor Index
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