NPT TI Scheme

Zenodo (CERN European Organization for Nuclear Research) 2026 Book Open access

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Authors: Karel De Witte
DOI: 10.5281/zenodo.18611843
Cited by: 0

Abstract

This Zenodo Repository (10.5281/zenodo.18611844) contains files, relevant datasets, and analysis scripts used to obtain the results presented in the manuscript by De Witte et al. titled A Novel Thermodynamic Integration Scheme to Derive Rigorous Gibbs Free Energies for Crystalline Solids.

Fields of Study & Subjects

Advanced Chemical Physics Studies Phase Equilibria and Thermodynamics Advanced Physical and Chemical Molecular Interactions

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
11 February 2026
Language
EN
Document type
Book