4. Physics
  5. Computational Physics

David E. Manolopoulos

Physics – Computational Physics

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Accelerating the convergence of path integral dynamics with a generalized Langevin equation

Physics – Computational Physics
Scientific paper

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Competing quantum effects in the dynamics of a flexible water model

Physics – Condensed Matter – Soft Condensed Matter
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Efficient stochastic thermostatting of path integral molecular dynamics

Physics – Condensed Matter – Statistical Mechanics
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The inefficiency of re-weighted sampling and the curse of system size in high order path integration

Physics – Chemical Physics
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