Nov 15, 1998 · We introduce error weighting functions into the perturbative Monte Carlo method for use with a hybrid ab initio quantum mechanics/molecular ...
It is possible to further increase the efficiency associated with the perturbative MC method by introducing error weighting functions that will al- low for an ...
Optimizing efficiency of perturbative Monte Carlo method. · Evans, Tom J.; Truong, Thanh N. · Journal of Computational Chemistry, 1998, Vol 19, Issue 14, p1632.
Optimizing efficiency of perturbative Monte Carlo method · List of references · Publications that cite this publication.
Dec 22, 2017 · In this work, we present an optimized perturbative quantum mechanics/molecular mechanics (QM/MM) method for use in Metropolis Monte Carlo ...
Jul 31, 2019 · Throughout this work, the linear method29 is used to optimize the Jastrow and CI parameters while the orbital parameters are optimized with the ...
We have presented Optimization Monte Carlo, a likelihood-free algorithm that, by controlling the simulator randomness, transforms traditional ABC inference ...
The present paper is focused on the computational aspects of the PMC algorithm, with a particular emphasis on the acceleration and use of hybrid computing nodes ...
Dec 28, 2017 · In this work, we present an optimized perturbative quantum mechanics/molecular mechanics (QM/MM) method for use in Metropolis Monte Carlo ...
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Apr 21, 2020 · This thesis presents efficiency improvements for the Sherpa event generator, in particular for high-multiplicity processes. A short introduction ...