3 papers
quant-ph2025
Open quantum-classical systems: A hybrid MASH master equation
Kasra Asnaashari, Jeremy O. Richardson
We propose a method which combines the quantum-classical mapping approach to surface hopping (MASH) with the dissipative quantum dynamics of the Lindblad master equation. Like conv…
physics.chem-ph2024
Time-reversible implementation of MASH for efficient nonadiabatic molecular dynamics
J. Amira Geuther, Kasra Asnaashari, Jeremy O. Richardson
In this work, we describe various improved implementations of the mapping approach to surface hopping (MASH) for simulating nonadiabatic dynamics. These include time-reversible and…
physics.chem-ph2024
A MASH simulation of the photoexcited dynamics of cyclobutanone
Joseph E. Lawrence, Imaad M. Ansari, Jonathan R. Mannouch +4
In response to a community prediction challenge, we simulate the nonadiabatic dynamics of cyclobutanone using the mapping approach to surface hopping (MASH). We consider the first…