Recent implementations in LASP 3.0: Global neural network potential with multiple elements and better long-range description-Reference-Cited by-同舟云学术

Recent implementations in LASP 3.0: Global neural network potential with multiple elements and better long-range description

Published:2021-10 Issue:5 Volume:34 Page:583-590
ISSN:1674-0068
Container-title:Chinese Journal of Chemical Physics
language:en
Short-container-title:Chinese Journal of Chemical Physics

Author:

Kang Pei-lin¹,Shang Cheng¹,Liu Zhi-pan¹

Affiliation:

1. Collaborative Innovation Center of Chemistry for Energy Material, Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, Key Laboratory of Computational Physical Science (Ministry of Education), Department of Chemistry, Fudan University, Shanghai 200433, China Shanghai Qi Zhi Institute, Shanghai 200030, China

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry

Link

https://cps.scitation.org/doi/pdf/10.1063/1674-0068/cjcp2108145

Reference33 articles.

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3. SchNet – A deep learning architecture for molecules and materials

4. ANI-1: an extensible neural network potential with DFT accuracy at force field computational cost

5. Amp: A modular approach to machine learning in atomistic simulations

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