21 citations · 58 across the 4 of their papers we have counts for
4 papers
Quantum free energy differences from non-equilibrium path integrals: II. Convergence properties for the harmonic oscillator
Ramses van Zon, Lisandro Hernandez de la Pena, Gilles H. Peslherbe +1
Non-equilibrium path integral methods for computing quantum free energy differences are applied to a quantum particle trapped in a harmonic well of uniformly changing strength with…
Quantum free energy differences from non-equilibrium path integrals: I. Methods and numerical application
Ramses van Zon, Lisandro Hernandez de la Pena, Gilles H. Peslherbe +1
The imaginary-time path integral representation of the canonical partition function of a quantum system and non-equilibrium work fluctuation relations are combined to yield methods…
Discontinuous Molecular Dynamics for Rigid Bodies: Applications
Lisandro Hernandez de la Pena, Ramses van Zon, Jeremy Schofield +1
Event-driven molecular dynamics simulations are carried out on two rigid body systems which differ in the symmetry of their molecular mass distributions. First, simulations of meth…
Discontinuous Molecular Dynamics for Semi-Flexible and Rigid Bodies
Lisandro Hernandez de la Pena, Ramses van Zon, Jeremy Schofield +1
A general framework for performing event-driven simulations of systems with semi-flexible or rigid bodies interacting under impulsive torques and forces is outlined. Two different…