most citedThermodynamic Integration for Dynamically Unstable Systems Using Interatomic Force Constants without Molecular Dynamics

2 citations · 2 across the 1 of their papers we have counts for

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1 paper

cond-mat.mtrl-sci2024★ 2 cited

Thermodynamic Integration for Dynamically Unstable Systems Using Interatomic Force Constants without Molecular Dynamics

Junsoo Park, Zhigang Wu, John W. Lawson

We demonstrate an efficient and accurate, general-purpose first-principles blueprint for calculating anharmonic vibrational free energy and predicting structural phase transition t…