Releases: mandalgrouptamu/SemiClassical-NAMD
Nitzan
Althorpe
This version is named after Stuart Althorpe a leading figure in chemical physics. He has made pioneering contribution to RPMD.
This version adds NRPMD method.
Coker
This version is named after David Coker, a leader in quantum dynamics, who also developed PLDM with Pengfei Huo.
Makri
This version is dedicated to Nancy Makri, a giant in theoretical chemistry.
Kapral
This version is named after Raymond Kapral, a legendary theoretical chemist.
Miller
This version is named after W. H. Miller, one of the founders of modern theoretical chemistry. This time, the name is apt as we include SQC (which he developed) for the first time in this package.
Subotnik
This version is named after Joseph Subotnik, one of the leaders in non-adiabatic quantum dynamics.
Tully
This is the first version of the NAMD code. Named after John C. Tully who developed Surface-Hopping. Ironically this code aims to not include Surface-Hopping approach or any of its derivatives.