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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 YangJournal of Chemical Theory and Computation|July 8, 2026
Multi-GPU MBE(3)-OSV-MP2 for Performant Large-Scale <i>Ab Initio</i> CalculationsQiujiang Liang, Jun YangJournal 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 YangJournal of Chemical Theory and Computation|March 29, 2025
Polarizable Water Model with Ab Initio Neural Network Dynamic Charges and Spontaneous Charge TransferQiujiang Liang, Jun YangJournal of Chemical Theory and Computation|February 4, 2025
Accurate Neural Network Fine-Tuning Approach for Transferable Ab Initio Energy Prediction across Varying Molecular and Crystalline ScalesWai-Pan Ng, Zili Zhang, Jun YangJournal of the American Chemical Society|April 3, 2023
Water Charge Transfer Accelerates Criegee Intermediate Reaction with H<sub>2</sub>O<sup>-</sup> Radical Anion at the Aqueous InterfaceQiujiang Liang, Chongqin Zhu, Jun YangJournal of Chemical Theory and Computation|December 10, 2019
Complete OSV-MP2 Analytical Gradient Theory for Molecular Structure and Dynamics SimulationsRuiyi Zhou, Qiujiang Liang, Jun YangAngewandte Chemie (International Ed. in English)|June 16, 2023
Phosphine-Triggered Structural Defects in Au<sub>44</sub> Homologues Boost Electrocatalytic CO<sub>2</sub> ReductionShengli Zhuang, Dong Chen, Wai-Pan Ng, et al.JACS Au|December 5, 2022
Phosphinous Acid-Phosphinito Tetra-Icosahedral Au<sub>52</sub> Nanoclusters for Electrocatalytic Oxygen ReductionShengli Zhuang, Dong Chen, Wai-Pan Ng, et al.British Journal of Cancer|February 5, 2024
Approval of DFMO for high-risk neuroblastoma patients demonstrates a step of success to target MYC pathwayJun YangPageof 1,038