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physics.chem-ph2026
Equivariant Flow Matching for Electron Density Prediction
Chenxing Liang, Chengdong Wang, Yuchao Lin +2
Machine learning surrogates for density functional theory (DFT) have been increasingly used to reduce the cost of first-principles calculations. In this arena, predicting real-spac…
physics.chem-ph2024★ 3 cited
Water Isotope Separation using Deep Learning and a Catalytically Active Ultrathin Membrane
Jinu Jeong, Chenxing Liang, Narayana Aluru
Water isotope separation, specifically separating heavy from light water, is a socially significant issue due to the usage of heavy water in applications such as nuclear magnetic r…
physics.chem-ph2023
Tuning Interfacial Water Friction through Moiré Twist
Chenxing Liang, Narayana R Aluru
Nanofluidics is pivotal in fundamental research and diverse applications, from water desalination to energy harvesting and biological analysis. Dynamically manipulating nanofluidic…