Contact info
SciNet High
Performance Computing Consortium
University of Toronto
Toronto, Canada
(previously:
Chemical
Physics Theory Group)
Selected publications
- Constructing smooth potentials of mean force, radial distribution functions and probability densities from sampled data, J. Chem. Phys. 132, 154110 (2010), with J. Schofield.
- Quantum free energy differences from non-equilibrium path-integrals: I. Methods and numerical application, Phys. Rev. E 78, 041103 (2008), with L. Hernández de la Peña, G. H. Peslherbe and J. Schofield.
- Event-driven dynamics of rigid bodies interacting via discretized potentials, J. Chem. Phys. 128, 154119 (2008), with J. Schofield.
- Numerical implementation of the exact dynamics of free rigid bodies, J. Comput. Phys. 225, 145 (2007), with J. Schofield.
- Extension of the fluctuation theorem, Phys. Rev. Lett. 91, 110601 (2003), with E.G.D. Cohen.
- Mode coupling theory for multiple-point and multiple-time correlation functions, Phys. Rev. E 65, 011106 (2002), with J. Schofield.