Neural network potentials for chemistry: concepts, applications and prospects-Reference-Cited by-同舟云学术

Neural network potentials for chemistry: concepts, applications and prospects

Published:2023 Issue:1 Volume:2 Page:28-58
ISSN:2635-098X
Container-title:Digital Discovery
language:en
Short-container-title:Digital Discovery

Author:

Käser Silvan¹^ORCID,Vazquez-Salazar Luis Itza¹^ORCID,Meuwly Markus¹^ORCID,Töpfer Kai¹^ORCID

Affiliation:

1. Department of Chemistry, University of Basel, Klingelbergstrasse 80, CH-4056 Basel, Switzerland

Abstract

Artificial Neural Networks (NN) are already heavily involved in methods and applications for frequent tasks in the field of computational chemistry such as representation of potential energy surfaces (PES) and spectroscopic predictions.

Funder

Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung

H2020 Marie Skłodowska-Curie Actions

Air Force Office of Scientific Research

Universität Basel

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2023/DD/D2DD00102K

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