Reposted by Javier Hernández Rodríguez
YUHUUUU Our baby is finally here!!! 🎉😎
After a year of work, our roadmap for molecular benchmarks in nonadiabatic dynamics is out!
Big thanks to all amazing coauthors 💜
Read it, share it, show it love!
👉 pubs.acs.org/doi/10.1021/...
#compchemsky
pubs.acs.org
Roadmap for Molecular Benchmarks in Nonadiabatic Dynamics
Simulating the coupled electronic and nuclear response of a molecule to light excitation requires the application of nonadiabatic molecular dynamics. However, when faced with a specific photophysical ...
