Event

 
 
Molecular Dynamics Simulation-Driven Drug Discovery and the Development of Next-Generation Polarizable Force Field
Oct 13 2023
Computational Chemistry Seminar Series - Fall 2023
Sep 22 2023
MRSF-TDDFT: Balancing Dynamic and Nondynamic Electron Correlations
Sep 22 2023
Electron Transfer, Angular Momentum, and the CISS Effect
Jul 25 2023
First-Principles Many-Body Theory and Quantum Dynamics for Materials in Quantum Information Science
Jul 14 2023
Artificial Intelligence for Molecular Modelling and Simulation
Jun 9 2023
Capturing the Dynamic Signature of Lanthanide on Protein Surfaces
May 26 2023
Improving Fitting Accuracy of Physically-Meaningful Model Potentials with the Help of Neural Network Technique
May 19 2023
The Coupling Between Photochemistry and Protein-Ligand Interactions in Photopharmacology
May 12 2023
Simulating Photoreactions in Complex Environment with Multireference Electronic Structure Method in AMOEBA Polarizable Models
Apr 28 2023
Many-Body Interactions, Machine Learning, and the Quest of Realistic Molecular Simulations
Apr 14 2023
Computational Chemistry Seminar Series - Spring 2023
Mar 16 2023

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