From vibrational spectroscopy and quantum tunnelling to periodic band structures – a self-supervised, all-purpose neural network approach to general quantum problems-Reference-Cited by-同舟云学术

From vibrational spectroscopy and quantum tunnelling to periodic band structures – a self-supervised, all-purpose neural network approach to general quantum problems

Published:2022 Issue:41 Volume:24 Page:25191-25202
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Gamper Jakob¹^ORCID,Kluibenschedl Florian¹,Weiss Alexander K. H.²,Hofer Thomas S.¹^ORCID

Affiliation:

1. Theoretical Chemistry, Division, Institute of General, Inorganic and Theoretical Chemistry, Center for Chemistry and Biomedicine, University of Innsbruck, Innrain 80-82, A-6020 Innsbruck, Austria

2. Research Institute for Biomedical Aging Research, University of Innsbruck, Rennweg 10, A-6020 Innsbruck, Austria

Abstract

A general, feedforward neural network strategy for the treatment of a broad range of quantum problems including rotational and vibrational spectroscopy, tunnelling and band structure calculations is presented in this study.

Funder

Universität Innsbruck

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D2CP03921D

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