Hyperdynamics simulations with ab initio forces-Reference-Cited by-同舟云学术

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Hyperdynamics simulations with ab initio forces

Published:2021-06-07 Issue:21 Volume:154 Page:214112
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Gu Hong-Yang¹²,Gao Weiguo³⁴,Gong Xin-Gao¹²

Affiliation:

1. Key Laboratory for Computational Physical Sciences (MOE), State Key Laboratory of Surface Physics, Department of Physics, Fudan University, Shanghai 200433, China

2. Shanghai Qizhi Institution, Shanghai 200232, People’s Republic of China

3. School of Mathematical Sciences, Fudan University, Shanghai 200433, China

4. School of Data Science, Fudan University, Shanghai 200433, China

Funder

National Natural Science Foundation of China

National Key R&D Program of China Grant No.

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

https://aip.scitation.org/doi/pdf/10.1063/5.0047669

Reference47 articles.

1. Unified Approach for Molecular Dynamics and Density-Functional Theory

2. Molecular dynamics simulations in biology

3. Ab initiomolecular dynamics for liquid metals

4. Scalable molecular dynamics with NAMD

5. Constant pressure molecular dynamics for molecular systems

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1. Recent advances in Accelerated Molecular Dynamics Methods: Theory and Applications;Comprehensive Computational Chemistry;2024

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