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cond-mat.mtrl-sci2026
A Transferable Machine-Learned Potential Enabling Large-Scale Copper-Carbon Simulations from Equilibrium to Extreme Conditions
Feiyu Zhou, Wei Qiu, Yan Chen +4
Cu-C materials and interfaces are central to diamond thermal management, metallization, graphene growth and carbon-coating technologies, but atomistic simulations across these appl…
cond-mat.mtrl-sci2026
Side-Chain Tuning of Thermal-Expansion Crossover in Metal-Organic Frameworks
Wei Qiu, Penghua Ying
Achieving continuous control over macroscopic thermal expansion remains a fundamental challenge in solid-state physics. Using classical and path-integral molecular dynamics alongsi…