Publications
Improved torque estimator for condensed-phase quasicentroid molecular dynamics.
J Chem Phys
(2022)
157
174108
(doi: 10.1063/5.0129482)
Testing the quasicentroid molecular dynamics method on gas-phase ammonia.
The Journal of Chemical Physics
(2021)
155
174120
(doi: 10.1063/5.0068250)