CodeEntropy

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

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Authors: Arghya Chakravorty, Donald Chung-HK, Sarah Fegan, James T. Gebbie-Rayet, SC Harris, Richard H. Henchman, Jonathan Higham, Jas Kalayan, Ioana Papa, Harry Swift
DOI: 10.5281/zenodo.18196862
Cited by: 0

Abstract

CodeEntropy is a Python package for calculating configurational entropy from molecular dynamics simulations using the multiscale cell correlation (MCC) method. It enables multiscale analysis of atomic fluctuations to quantify molecular flexibility and disorder.

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
9 January 2026