An on-the-fly simplicial interpolation method, including a new anisotropic triangulation, estimates potential energies in Monte Carlo simulations with errors below a user-set threshold while requiring orders of magnitude fewer exact energy evaluations.
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A combined on-the-fly/interpolation procedure for evaluating energy values needed in molecular simulations
An on-the-fly simplicial interpolation method, including a new anisotropic triangulation, estimates potential energies in Monte Carlo simulations with errors below a user-set threshold while requiring orders of magnitude fewer exact energy evaluations.