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
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 ...
pubs.acs.org
