AENET–LAMMPS and AENET–TINKER: Interfaces for accurate and efficient molecular dynamics simulations with machine learning potentials-Reference-Cited by-同舟云学术

AENET–LAMMPS and AENET–TINKER: Interfaces for accurate and efficient molecular dynamics simulations with machine learning potentials

Author:

Chen Michael S.¹^ORCID,Morawietz Tobias¹^ORCID,Mori Hideki²^ORCID,Markland Thomas E.¹^ORCID,Artrith Nongnuch³⁴⁵^ORCID

Affiliation:

1. Department of Chemistry, Stanford University, Stanford, California 94305, USA

2. Department of Mechanical Engineering, College of Industrial Technology, 1-27-1 Nishikoya, Amagasaki, Hyogo 661-0047, Japan

3. Department of Chemical Engineering, Columbia University, New York, New York 10027, USA

4. Columbia Center for Computational Electrochemistry, Columbia University, New York, New York 10027, USA

5. Materials Chemistry and Catalysis, Debye Institute for Nanomaterials Science, Utrecht University, 3584 CG Utrecht, The Netherlands

Funder

U.S. Department of Energy

Deutsche Forschungsgemeinschaft

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

Reference83 articles.

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