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Achieving Reproducibility and Replicability of Molecular Dynamics and Monte Carlo Simulations Using the Molecular Simulation Design Framework (MoSDeF). [PDF]

open access: yesJ Chem Eng Data
Craven NC   +21 more
europepmc   +1 more source

Antiproton annihilation at rest in thin solid targets and comparison with Monte Carlo simulations. [PDF]

open access: yesEur Phys J A Hadron Nucl
Amsler C   +35 more
europepmc   +1 more source

Pharmacokinetic/Pharmacodynamic Modelling and Monte Carlo Simulations to Predict Cytomegalovirus Viral Load in Pediatric Transplant Recipients Treated with (val)Ganciclovir. [PDF]

open access: yesClin Pharmacokinet
Koloskoff K   +8 more
europepmc   +1 more source
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Faster Monte Carlo simulations

Physical Review E, 1995
For Monte Carlo simulations of systems of size [ital M], either kinetic simulations or equilibrium simulations that use the method of Bortz, Kalos, and Liebowitz [J. Comput. Phys. [bold 17], 10 (1975)], the best computer time per event has been [ital O]([ital M][sup 1/2]). We present two methods whose computer time per event is [ital O]([ital M][sup 1/[
, Blue, , Beichl, , Sullivan
openaire   +2 more sources

Monte Carlo Simulations

2008
A description of Monte Carlo methods for simulation of proteins is given. Advantages and disadvantages of the Monte Carlo approach are presented. The theoretical basis for calculating equilibrium properties of biological molecules by the Monte Carlo method is presented.
David J, Earl, Michael W, Deem
openaire   +2 more sources

Monte Carlo Simulation Method

2019
The sequential use of random numbers, to sample the values of probability variables, allows obtaining solutions to mathematical problems such as the Monte Carlo method, that allows to model stochastic parameters or deterministic based on random sampling.
Lorenzo Cevallos-Torres   +1 more
openaire   +1 more source

Multicanonical Monte Carlo Simulations

International Journal of Modern Physics C, 1993
The multicanonical ensemble is reviewed. Simulations of this ensemble promise improvements for a wide range of systems. Applications to first order phase transitions and spin glasses are summarized.
openaire   +1 more source

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