Publications (27)
Derivation of a Markov state model of the dynamics of a protein-like chain immersed in an implicit solvent
Jeremy Schofield, Hanif Bayat
Dynamics of Janus motors with microscopically reversible kinetics
Mu-Jie Huang, Jeremy Schofield, Pierre Gaspard +1
Mode coupling theory for multi-point and multi-time correlation functions
Ramses van Zon, Jeremy Schofield
Glassy dynamics and domains: exact results for the East model
Ramses van Zon, Jeremy Schofield
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
A microscopic model for chemically-powered Janus motors
Mu-Jie Huang, Jeremy Schofield, Raymond Kapral
Efficient algorithms for rigid body integration using optimized splitting methods and exact free rotational motion
Ramses van Zon, Igor P. Omelyan, Jeremy Schofield
Discontinuous Molecular Dynamics for Semi-Flexible and Rigid Bodies
Lisandro Hernandez de la Pena, Ramses van Zon, Jeremy Schofield +1
Free Energy Landscape of a Protein-Like Chain in a Fluid with Discontinuous Potentials
Hanif Bayat Movahed, Ramses van Zon, Jeremy Schofield
Numerical implementation of the exact dynamics of free rigid bodies
Ramses van Zon, Jeremy Schofield
Free Energy Landscape of Protein-like Chains with Discontinuous Potentials
Hanif Bayat Movahed, Ramses van Zon, Jeremy Schofield
Simulation of tethered oligomers in nanochannels using multi-particle collision dynamics
Riyad Raghu, Jeremy Schofield
Constructing smooth potentials of mean force, radial, distribution functions and probability densities from sampled data
Ramses van Zon, Jeremy Schofield
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
Modeling of solvent flow effects in enzyme catalysis under physiological conditions
Jeremy Schofield, Paul Inder, Raymond Kapral
Single particle motion and collective dynamics in Janus motor systems
Mu-Jie Huang, Jeremy Schofield, Pierre Gaspard +1
Symplectic algorithms for simulations of rigid body systems using the exact solution of free motion
Ramses van Zon, Jeremy Schofield
An efficient Monte Carlo method for calculating ab initio transition state theory reaction rates in solution
Radu Iftimie, Dennis Salahub, Jeremy Schofield
Microscopic and continuum descriptions of Janus motor fluid flow fields
Shang Yik Reigh, Mu-Jie Huang, Jeremy Schofield +1
Chemotactic and hydrodynamic effects on collective dynamics of self-diffusiophoretic Janus motors
Mu-Jie Huang, Jeremy Schofield, Raymond Kapral
Mapping quantum-classical Liouville equation: projectors and trajectories
Aaron Kelly, Ramses van Zon, Jeremy Schofield +1
Langevin Equation for the Rayleigh model with finite-ranged interactions
Alexander V. Plyukhin, Jeremy Schofield
Langevin equation for the extended Rayleigh model with an asymmetric bath
Alexander Plyukhin, Jeremy Schofield
Mode-coupling theory for multiple-time correlation functions of tagged particle densities and dynamical filters designed for glassy systems
Ramses van Zon, Jeremy Schofield
Event-Driven Dynamics of Rigid Bodies Interacting via Discretized Potentials
Ramses van Zon, Jeremy Schofield
Discontinuous Molecular Dynamics for Rigid Bodies: Applications
Lisandro Hernandez de la Pena, Ramses van Zon, Jeremy Schofield +1
Multiple-Point and Multiple-Time Correlations Functions in a Hard-Sphere Fluid
Ramses van Zon, Jeremy Schofield