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cluster-expansion

Here are 5 public repositories matching this topic...

CederGroupHub / smol

Statistical Mechanics on Lattices

monte-carlo statistical-mechanics ising-model materials-science lattice-gas cluster-expansion

Updated Oct 26, 2026
Python

CederGroupHub / WFacer

Modulated automation of cluster expansion based on atomate2 and Jobflow

statistical-mechanics cluster-expansion atomistic-modelling lattice-thermodynamics

Updated Oct 14, 2026
Python

unkcpz / aiida-ce

AiiDA plugin for running cluster expansion using icet and ATAT.

cluster-expansion icet aiida-plugin

Updated Jul 1, 2021
Python

eunseok-lee / spin_atom_CE

C-code for cluster expansion on atomic-magnetic(spin)-coupled configuration

machine-learning-algorithms cluster-expansion ternary-compounds

Updated May 29, 2018
C

LinjianMa / Cluster-Expansion

material-design data-driven cluster-expansion

Updated Jun 2, 2018
Python

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