Are you using nonadiabatic dynamics for complex systems? Join us in sunny Spain for the "Future Directions in Non-Adiabatic Dynamics" workshop (Sept 2-5, 2025) at CECAM-Zaragoza! Register by June 3. Check out the event page: tinyurl.com/2nvnanf2
#NAMD #NonAdiabaticDynamics #CECAM
#NAMD #NonAdiabaticDynamics #CECAM
March 6, 2025 at 7:21 AM
Are you using nonadiabatic dynamics for complex systems? Join us in sunny Spain for the "Future Directions in Non-Adiabatic Dynamics" workshop (Sept 2-5, 2025) at CECAM-Zaragoza! Register by June 3. Check out the event page: tinyurl.com/2nvnanf2
#NAMD #NonAdiabaticDynamics #CECAM
#NAMD #NonAdiabaticDynamics #CECAM
How far can nonadiabatic simulations go with proper initial state sampling? We comment on the strategies in the recent Accounts of Chemical Research paper
pubs.acs.org/doi/10.1021/...
#NonadiabaticDynamics #SimulationScience #compchem
@insilphotochem.bsky.social @pubs.acs.org
pubs.acs.org/doi/10.1021/...
#NonadiabaticDynamics #SimulationScience #compchem
@insilphotochem.bsky.social @pubs.acs.org
Selecting Initial Conditions for Trajectory-Based Nonadiabatic Simulations
ConspectusPhotochemical reactions have always been the source of a great deal of mystery. While classified as a type of chemical reaction, no doubts are allowed that the general tenets of ground-state...
pubs.acs.org
January 15, 2025 at 9:59 AM
How far can nonadiabatic simulations go with proper initial state sampling? We comment on the strategies in the recent Accounts of Chemical Research paper
pubs.acs.org/doi/10.1021/...
#NonadiabaticDynamics #SimulationScience #compchem
@insilphotochem.bsky.social @pubs.acs.org
pubs.acs.org/doi/10.1021/...
#NonadiabaticDynamics #SimulationScience #compchem
@insilphotochem.bsky.social @pubs.acs.org