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Molecular Dynamics Simulation-Driven Drug Discovery and the Development of Next-Generation Polarizable Force Field
Hosted via Zoom (Meeting ID: 937 3811 0352; Passcode: 692891)
Friday, October 13, 2023 9:00 - 10:00
Computational Chemistry Seminar Series - Fall 2023
Mixed-mode
Friday, September 22, 2023 9:00 - Friday, December 15, 2023 10:00
MRSF-TDDFT: Balancing Dynamic and Nondynamic Electron Correlations
Hosted via Zoom (Meeting ID: 916 4902 6085; Passcode: 737711)
Friday, September 22, 2023 9:00 - 10:00
Electron Transfer, Angular Momentum, and the CISS Effect
Hosted via Zoom (Meeting ID: 936 2079 6258; Passcode: 759871)
Tuesday, July 25, 2023 9:15 - 10:15AM
First-Principles Many-Body Theory and Quantum Dynamics for Materials in Quantum Information Science
Hosted via Zoom (Meeting ID: 971 9285 9177; Passcode: 427211)
Friday, July 14, 2023 9:00 - 10:00
Artificial Intelligence for Molecular Modelling and Simulation
Hosted via Zoom (Meeting ID: 958 8679 7379; Passcode: 322198)
Friday, June 9, 2023 9:00 - 10:00
Capturing the Dynamic Signature of Lanthanide on Protein Surfaces
Hosted via Zoom (Meeting ID : 942 8613 4001 ; Passcode : 680765)
Friday, May 26, 2023 9:00 - 10:00
Improving Fitting Accuracy of Physically-Meaningful Model Potentials with the Help of Neural Network Technique
Hosted via Zoom (Meeting ID: 973 6601 8154; Passcode: 433344)
Friday, May 19, 2023 9:00 - 10:00
The Coupling Between Photochemistry and Protein-Ligand Interactions in Photopharmacology
Hosted via Zoom (Meeting ID: 961 4182 8475; Passcode: 954870)
Friday, May 12, 2023 9:00 - 10:00
Simulating Photoreactions in Complex Environment with Multireference Electronic Structure Method in AMOEBA Polarizable Models
Hosted via Zoom
Friday, April 28, 2023 9:00 - 10:00
Many-Body Interactions, Machine Learning, and the Quest of Realistic Molecular Simulations
Hosted via Zoom
Friday, April 14, 2023 9:00 - 10:00
Quantum Chemical Modeling of Enzymatic Reactions in Extremophiles
Hosted via Zoom
Thursday, March 16, 2023 9:00 - 10:00
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