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physics.chem-ph2026
FACTO: fast atom-centered tensor operator for accurate and efficient foundational machine-learned interatomic potentials
Siyuan Liu, Chang Han, Sheng Gong +6
High-throughput inference remains a central challenge for equivariant machine-learned interatomic potentials. Here we introduce FACTO, an atom-centered equivariant architecture tha…
physics.chem-ph2025
Accelerated Machine Learning Force Field for Predicting Thermal Conductivity of Organic Liquids
Wei Feng, Siyuan Liu, Hongyi Wang +11
The thermal conductivity of organic liquids is a vital parameter influencing various industrial and environmental applications, including energy conversion, electronics cooling, an…