Molecular simulations – Light and Molecules

Machine learning Methods and Software

ULaMDyn: Excited-State Dynamics Analysis with Machine Learning

New Software Unveils Hidden Patterns in Nonadiabatic Dynamics.

By Mario Barbatti, 4 months ago

Methods and Software

Photoelectron Spectrum Simulations

Methods based on nuclear ensembles allow to simulate steady and time-resolved photoelectron spectra with absolute intensities.

By Mario Barbatti, 9 yearsSeptember 15, 2016 ago