4 papers
Negative Marginal Densities in Mixed Quantum-Classical Liouville Dynamics
Kai Gu, Jeremy Schofield
The mixed quantum-classical Liouville equation (QCLE) provides an approximate perturbative framework for describing the dynamics of systems with coupled quantum and classical degre…
Dynamics of Quantum-Classical Systems in Nonequilibrium Environments
Jeremy Schofield, Raymond Kapral
The dynamics of a quantum system coupled to a classical environment and subject to constraints that drive it out of equilibrium is described. The evolution of the system is governe…
Microscopic theory of a Janus motor in a non-equilibrium fluid: Surface hydrodynamics and boundary conditions
Bryan Robertson, Jeremy Schofield, Raymond Kapral
We present a derivation from first principles of the coupled equations of motion of an active self-diffusiophoretic Janus motor and the hydrodynamic densities of its fluid environm…
Diffusive dynamics of a model protein chain in solution
Margarita Colberg, Jeremy Schofield
A Markov state model is a powerful tool that can be used to track the evolution of populations of configurations in an atomistic representation of a protein. For a coarse-grained l…