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Journal of Chemical Theory and Computation|July 8, 2026
Multi-GPU MBE(3)-OSV-MP2 for Performant Large-Scale Ab Initio CalculationsQiujiang Liang, Jun Yang
Journal of Chemical Theory and Computation|October 27, 2021
Third-Order Many-Body Expansion of OSV-MP2 Wave Function for Low-Order Scaling Analytical Gradient ComputationQiujiang Liang, Jun Yang
Journal of Chemical Theory and Computation|March 29, 2025
Polarizable Water Model with Ab Initio Neural Network Dynamic Charges and Spontaneous Charge TransferQiujiang Liang, Jun Yang
Journal of the American Chemical Society|April 3, 2023
Water Charge Transfer Accelerates Criegee Intermediate Reaction with H2O- Radical Anion at the Aqueous InterfaceQiujiang Liang, Chongqin Zhu, Jun Yang
Journal of Chemical Theory and Computation|December 10, 2019
Complete OSV-MP2 Analytical Gradient Theory for Molecular Structure and Dynamics SimulationsRuiyi Zhou, Qiujiang Liang, Jun Yang
Journal of Chemical Theory and Computation|July 28, 2023
Low-Data Deep Quantum Chemical Learning for Accurate MP2 and Coupled-Cluster CorrelationsWai-Pan Ng, Qiujiang Liang, Jun Yang
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