Results 301 to 310 of about 129,978 (318)
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Monte Carlo simulation-based molecular modeling

2023
Manilal Murmu   +3 more
openaire   +1 more source

Variable Sphere Molecular Model in the Monte Carlo Simulation of Rarefied Gas Flow

AIP Conference Proceedings, 2003
The variable sphere (VS) molecular model is introduced to Monte Carlo simulation of rarefied gas flow. The VS model provides the consistency for diffusion and viscosity cross‐sections with those of any realistic intermolecular potential. The VS model has a much simpler scattering law than either the variable hard sphere (VHS) or variable soft sphere ...
openaire   +1 more source

Monte Carlo experiments and the defense of diffusion models in molecular population genetics

Biology & Philosophy, 1996
In the 1960s molecular population geneticists used Monte Carlo experiments to evaluate particular diffusion equation models. In this paper I examine the nature of this comparative evaluation and argue for three claims: first, Monte Carlo experiments are genuine experiments: second, Monte Carlo experiments can provide an important meansfor evaluating ...
openaire   +1 more source

Computational Methods in Heterogeneous Catalysis

Chemical Reviews, 2021
Benjamin W J Chen   +2 more
exaly  

Unbiasing fermionic quantum Monte Carlo with a quantum computer

Nature, 2022
William J Huggins   +2 more
exaly  

Modeling and Computer Simulation: Kinetic Monte Carlo/ Molecular Dynamics

2001
B.D. Wirth   +2 more
openaire   +1 more source

Noncovalent Interactions by Quantum Monte Carlo

Chemical Reviews, 2016
Matúš Dubecký   +2 more
exaly  

Quantum Monte Carlo simulations of solids

Reviews of Modern Physics, 2001
W M C Foulkes, Gunaretnam Rajagopal
exaly  

Mastering the game of Go with deep neural networks and tree search

Nature, 2016
David Silver, Aja Huang, Arthur Guez
exaly  

Continuous-time Monte Carlo methods for quantum impurity models

Reviews of Modern Physics, 2011
Emanuel C Gull   +2 more
exaly  

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