Browsing Physics and Astronomy by Author "Ing, Christopher"
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Path integral Langevin dynamics of complex molecular systems: from low-temperature quantum clusters to biomolecules Ing, Christopher (University of Waterloo, 2011-08-31)This thesis presents an implementation of path integral molecular dynamics (PIMD) for sampling equilibrium and dynamical properties within the molecular modelling toolkit (MMTK) [J. Comp. Chem. 21, 79 (2000)], an open ...