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Journal of Chemical Theory and Computation
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July 8, 2026
Multi-GPU MBE(3)-OSV-MP2 for Performant Large-Scale <i>Ab Initio</i> Calculations
Qiujiang 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 Computation
Qiujiang 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 Transfer
Qiujiang Liang, Jun Yang
Journal 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 Interface
Qiujiang 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 Simulations
Ruiyi 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 Correlations
Wai-Pan Ng, Qiujiang Liang, Jun Yang
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of 1
Search research articles
Search
Showing results (1-10 of 6) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
July 8, 2026
Multi-GPU MBE(3)-OSV-MP2 for Performant Large-Scale <i>Ab Initio</i> Calculations
Qiujiang 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 Computation
Qiujiang 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 Transfer
Qiujiang Liang, Jun Yang
Journal 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 Interface
Qiujiang 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 Simulations
Ruiyi 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 Correlations
Wai-Pan Ng, Qiujiang Liang, Jun Yang
Page
of 1