Chapter on Machine Learning in Quantum Chemistry in a Tutorial Way
My book chapter shows in a tutorial way how to use machine learning to assist quantum chemistry research.
Tag: nonadiabatic dynamics
Nonadiabatic Dynamics with Deep Learning
We demonstrate that deep learning can be used to perform pure machine learning nonadiabatic excited-state dynamics of molecular systems.
Machine Learning Accelerates Excited-State Dynamics
Machine learning paves the way for massive simulations of nonadiabatic excited-state molecular dynamics.