Global free-energy landscapes as a smoothly joined collection of local maps

Dataset

This repository contains the scripts that were used to run the calculations that present a new biasing technique, the Adaptive Topography of Landscape for Accelerated Sampling (ATLAS). The techinque is implemented in plumed-2.0 and the input file are included in the repository, as well as a few scripts to postprocess the calculations and reproduce the plots presented in the paper

Identifier
Source	https://archive.materialscloud.org/record/2021.72
Metadata Access	https://archive.materialscloud.org/xml?verb=GetRecord&metadataPrefix=oai_dc&identifier=oai:materialscloud.org:849

Provenance
Creator	Giberti, Federico; Tribello, Gareth; Ceriotti, Michele
Publisher	Materials Cloud
Publication Year	2021
Rights	info:eu-repo/semantics/openAccess; Creative Commons Attribution 4.0 International https://creativecommons.org/licenses/by/4.0/legalcode
OpenAccess	true
Contact	archive(at)materialscloud.org

Representation
Language	English
Resource Type	Dataset
Discipline	Materials Science and Engineering