Roberto Car

According to our database, Roberto Car authored at least 8 papers between 2005 and 2021.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2021

86 PFLOPS Deep Potential Molecular Dynamics simulation of 100 million atoms with <i>ab initio</i> accuracy.

Denghui Lu, Han Wang, Mohan Chen, Lin Lin, Roberto Car, Weinan E, Weile Jia, Linfeng Zhang

Comput. Phys. Commun., 2021

2020

86 PFLOPS Deep Potential Molecular Dynamics simulation of 100 million atoms with ab initio accuracy.

Denghui Lu, Han Wang, Mohan Chen, Jiduan Liu, Lin Lin, Roberto Car, Weinan E, Weile Jia, Linfeng Zhang

CoRR, 2020

Pushing the limit of molecular dynamics with <i>ab initio</i> accuracy to 100 million atoms with machine learning.

Weile Jia, Han Wang, Mohan Chen, Denghui Lu, Lin Lin, Roberto Car, Weinan E, Linfeng Zhang

Proceedings of the International Conference for High Performance Computing, 2020

2018

Active Learning of Uniformly Accurate Inter-atomic Potentials for Materials Simulation.

Linfeng Zhang, De-Ye Lin, Han Wang, Roberto Car, Weinan E

CoRR, 2018

End-to-end Symmetry Preserving Inter-atomic Potential Energy Model for Finite and Extended Systems.

Linfeng Zhang, Jiequn Han, Han Wang, Wissam Saidi, Roberto Car, Weinan E

Proceedings of the Advances in Neural Information Processing Systems 31: Annual Conference on Neural Information Processing Systems 2018, 2018

2017

Deep Potential Molecular Dynamics: a scalable model with the accuracy of quantum mechanics.

Linfeng Zhang, Jiequn Han, Han Wang, Roberto Car, Weinan E

CoRR, 2017

2009

Fernbach award.

Roberto Car, Michele Parrinello

Proceedings of the ACM/IEEE Conference on High Performance Computing, 2009

2005

Protonation-induced stereoisomerism in nicotine: Conformational studies using classical (AMBER) and <i>ab initio</i> (Car-Parrinello) molecular dynamics.

Philip S. Hammond, Yudong Wu, Rebecca Harris, Todd J. Minehardt, Roberto Car, Jeffrey D. Schmitt

J. Comput. Aided Mol. Des., 2005