Raman spectrum and polarizability of liquid water from deep neural networks-Reference-Cited by-同舟云学术

Raman spectrum and polarizability of liquid water from deep neural networks

Published:2020 Issue:19 Volume:22 Page:10592-10602
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Sommers Grace M.¹²³⁴,Calegari Andrade Marcos F.⁵²³⁴^ORCID,Zhang Linfeng⁶²³⁴,Wang Han⁷⁸⁹¹⁰,Car Roberto¹²³⁴⁵

Affiliation:

1. Department of Physics

2. Princeton University

3. Princeton

4. USA

5. Department of Chemistry

6. Program in Applied and Computational Mathematics

7. Laboratory of Computational Physics

8. Institute of Applied Physics and Computational Mathematics

9. Beijing 100088

10. P. R. China

Abstract

Using deep neural networks to model the polarizability and potential energy surfaces, we compute the Raman spectrum of liquid water at several temperatures with ab initio molecular dynamics accuracy.

Funder

Office of Science

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2020/CP/D0CP01893G

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