Force and stress calculations with a neural-network wave function for solids-Reference-Cited by-同舟云学术

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Force and stress calculations with a neural-network wave function for solids

Published:2024 Issue: Volume: Page:
ISSN:1359-6640
Container-title:Faraday Discussions
language:en
Short-container-title:Faraday Discuss.

Author:

Qian Yubing¹²^ORCID,Li Xiang²,Chen Ji¹³^ORCID

Affiliation:

1. School of Physics, Peking University, Beijing 100871, People’s Republic of China

2. ByteDance Research, Zhonghang Plaza, No. 43, North 3rd Ring West Road, Haidian District, Beijing, People’s Republic of China

3. Interdisciplinary Institute of Light-Element Quantum Materials, Frontiers Science Center for Nano-Optoelectronics, Peking University, Beijing 100871, People’s Republic of China

Abstract

Accurate force and stress calculations for solids are achieved with a neural-network wavefunction.

Funder

National Key Research and Development Program of China

Beijing Municipal Natural Science Foundation

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/FD/D4FD00071D

Reference37 articles.

1. R. M.Martin , Electronic Structure: Basic Theory and Practical Methods , Cambridge University Press , 2nd edn, 2020

2. Nobel Lecture: Electronic structure of matter—wave functions and density functionals

3. Quantum Monte Carlo simulations of solids

4. Solving many-electron Schrödinger equation using deep neural networks

5. Fermionic neural-network states for ab-initio electronic structure

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