Event

 
 
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
Understanding the Chemistry and Biology of Human Disease-Related Natural Products
Nov 17 2021
Simulating Linear and Nonlinear Optical Spectra for Chromophores in the Condensed Phase
Nov 10 2021
Chemical Biology of Protein Aggregation in Membraneless Organelles and the Stressed Proteome
Nov 3 2021
Time-Resolved Electronic and Nuclear Dynamics Probed Simultaneously in Isolated Anions
Oct 27 2021
In Silico Photochemical Experiments with Non-Born-Oppenheimer Molecular Dynamics
Oct 13 2021
Machine Learning in Molecular Spectroscopy Study
Oct 13 2021

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