Data publication: Accelerated free energy estimation in ab initio path integral Monte Carlo simulations

DOI

This repository contains the PIMC data for the publication "Accelerated free energy estimation in ab initio path integral Monte Carlo simulations".

Identifier
DOI https://doi.org/10.14278/rodare.4598
Related Identifier IsReferencedBy https://doi.org/10.1021/acs.jpclett.5c02193
Related Identifier IsIdenticalTo https://www.hzdr.de/publications/Publ-43236
Related Identifier IsReferencedBy https://www.hzdr.de/publications/Publ-41635
Related Identifier IsPartOf https://doi.org/10.14278/rodare.4597
Related Identifier IsPartOf https://rodare.hzdr.de/communities/rodare
Metadata Access https://rodare.hzdr.de/oai2d?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:rodare.hzdr.de:4598
Provenance
Creator Svensson, Pontus (ORCID: 0000-0002-7013-208X); Kalkavouras, Fotios; Hernandez Acosta, Uwe ORCID logo; Moldabekov, Zhandos ORCID logo; Tolias, Panagiotis ORCID logo; Vorberger, Jan ORCID logo; Dornheim, Tobias ORCID logo
Publisher Rodare
Publication Year 2026
Rights Creative Commons Attribution 4.0 International; Open Access; https://creativecommons.org/licenses/by/4.0/legalcode; info:eu-repo/semantics/openAccess
OpenAccess true
Contact https://rodare.hzdr.de/support
Representation
Language English
Resource Type Dataset
Discipline Life Sciences; Natural Sciences; Engineering Sciences