Check out our book chapter in "Chemical Modelling: Volume 17" here to learn about interesting developments including propagation learning, single-point calculations to be used in molecular dynamics simulations, and further exciting contributions.
In our chapter, we give an overview over common machine learning approaches used in this research area, and summarize recent achievements and advances for machine learning aiding excited-state dynamics simulations.
We are looking forward to many further developments pushing the boundaries in simulation time scales and system sizes in the future.
Book chapter on machine learning for electronic excited states
19.12.2022