2 papers
physics.chem-ph2026
Nonadiabatic rare events from transition-path sampling of MASH trajectories
Danial Ghamari, Jeremy O. Richardson
Rare nonadiabatic reactions are a key component of many important molecular processes but are challenging to capture with direct dynamical simulations. In this paper, we combine ou…
physics.bio-ph2023
Sampling a rare protein transition with a hybrid classical-quantum computing algorithm
Danial Ghamari, Roberto Covino, Pietro Faccioli
Simulating spontaneous structural rearrangements in macromolecules with classical Molecular Dynamics (MD) is an outstanding challenge. Conventional supercomputers can access time i…