281 citations · 821 across the 11 of their papers we have counts for
11 papers
Deploying a Top-100 Supercomputer for Large Parallel Workloads: the Niagara Supercomputer
Marcelo Ponce, Ramses van Zon, Scott Northrup +14
Niagara is currently the fastest supercomputer accessible to academics in Canada. It was deployed at the beginning of 2018 and has been serving the research community ever since. T…
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…
Event-Driven Dynamics of Rigid Bodies Interacting via Discretized Potentials
Ramses van Zon, Jeremy Schofield
A framework for performing event-driven, adaptive time step simulations of systems of rigid bodies interacting under stepped or terraced potentials in which the potential energy is…
Efficient algorithms for rigid body integration using optimized splitting methods and exact free rotational motion
Ramses van Zon, Igor P. Omelyan, Jeremy Schofield
Hamiltonian splitting methods are an established technique to derive stable and accurate integration schemes in molecular dynamics, in which additional accuracy can be gained using…
Symplectic algorithms for simulations of rigid body systems using the exact solution of free motion
Ramses van Zon, Jeremy Schofield
Elegant integration schemes of second and fourth order for simulations of rigid body systems are presented which treat translational and rotational motion on the same footing. This…