Machine learning for electronically excited states of molecules

J Westermayr, P Marquetand - Chemical Reviews, 2020 - ACS Publications
Electronically excited states of molecules are at the heart of photochemistry, photophysics,
as well as photobiology and also play a role in material science. Their theoretical description …

Interactive quantum chemistry enabled by machine learning, graphical processing units, and cloud computing

U Raucci, H Weir, S Sakshuwong… - Annual Review of …, 2023 - annualreviews.org
Modern quantum chemistry algorithms are increasingly able to accurately predict molecular
properties that are useful for chemists in research and education. Despite this progress …