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posted on 2025-10-01, 12:15 authored by Benkun Hong, Guoao Li, Pei Liu, Wei Li, Manyi Yang, Shuhua Li

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DOI - Is supplement to <strong>Phase Diagram of CO<sub>2</sub>-I/III from Molecular Dynamics Simulation using</strong><strong> a PBE0-Accuracy Machine Learning Potential </strong>

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Phase transition machine learning potential CO2 crystal structure

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