Event

 
 
Hierarchy of Stochastic Schrödinger Equation and its Applications to Quantum Dynamics in Semiconductor Materials
May 12 2022
How to Train your Force Field
Apr 29 2022
Bridging Scales in Structural Biology via Integration of Multiscale Modeling, Enhanced Sampling, and Experimental Data
Apr 22 2022
Integrating Machine Learning and Molecular Modeling for Drug Design
Apr 15 2022
Toward Accurate Ab Initio Molecular Dynamics on Many Electronic States
Apr 1 2022
How AI is Revolutionizing Chemistry Research
Mar 25 2022
Accelerating and Improving Computational Chemistry with Artificial Intelligence/Machine Learning
Mar 4 2022
Rational Design of Fe-Based Catalysts for Fischer-Tropsch Synthesis from Theoretical Prediction to Experimental Confirmation
Dec 22 2021
Structural Analysis and Identification of Frequent Hitters Based on Artificial Intelligence
Dec 8 2021
When Does Photodissociation Become Photoisomerization? When Solvents Become Part of Solute Chemical Identity?
Dec 1 2021
Extending the Timescales of Nonadiabatic Dynamics in Nanoscale Systems
Dec 1 2021
QM/MM Investigation of Enzyme-Catalyzed Protein Methylation Reactions
Nov 24 2021

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