ArcaNN: automated enhanced sampling generation of training sets for chemically reactive machine learning interatomic potentials

This is a publication. If there is no link to the publication on this page, you can try the pre-formated search via the search engines listed on this page.

Authors: Rolf David, Miguel de la Puente, Axel Gomez, Olaia Anton, Guillaume Stirnemann, Damien Laage

Journal title: Digital Discovery

Journal number: 4

Journal publisher: RSC

Published year: 2025

Published pages: 54-72

DOI identifier: 10.1039/d4dd00209a

ISSN: 2635-098X