Monte Carlo approach to the evaluation of the configurational free energy of chains

1978 ◽  
Vol 11 (1) ◽  
pp. L11-L15 ◽  
Author(s):  
A T Clark ◽  
M Lal
Keyword(s):  
Monte Carlo ◽  
Free Energy ◽  
Monte Carlo Approach

Wigner-Boltzmann Monte Carlo approach to nanodevice simulation: from quantum to semiclassical transport

2009 ◽  
Vol 8 (3-4) ◽  
pp. 324-335 ◽  
Author(s):  
Damien Querlioz ◽  
Huu-Nha Nguyen ◽  
Jérôme Saint-Martin ◽  
Arnaud Bournel ◽  
Sylvie Galdin-Retailleau ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Approach ◽  
Semiclassical Transport

Examining sharp restart in a Monte Carlo method for the linearized Poisson–Boltzmann equation

2020 ◽  
Vol 26 (3) ◽  
pp. 223-244
Author(s):  
W. John Thrasher ◽  
Michael Mascagni
Keyword(s):  
Monte Carlo ◽  
Free Energy ◽  
Monte Carlo Algorithm ◽  
Significant Bias ◽  
Poisson Boltzmann ◽  
Electrostatic Free Energy ◽  
Poisson Boltzmann Equation ◽  
The Stability ◽  
Potential Methods ◽  
The Individual

AbstractIt has been shown that when using a Monte Carlo algorithm to estimate the electrostatic free energy of a biomolecule in a solution, individual random walks can become entrapped in the geometry. We examine a proposed solution, using a sharp restart during the Walk-on-Subdomains step, in more detail. We show that the point at which this solution introduces significant bias is related to properties intrinsic to the molecule being examined. We also examine two potential methods of generating a sharp restart point and show that they both cause no significant bias in the examined molecules and increase the stability of the run times of the individual walks.

scholarly journals On the stochastic uncertainties of thermally and optically stimulated luminescence signals: A Monte Carlo approach

2020 ◽  
Vol 219 ◽  
pp. 116945
Author(s):  
Vasilis Pagonis ◽  
Sebastian Kreutzer ◽  
Alex Roy Duncan ◽  
Ena Rajovic ◽  
Christian Laag ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Optically Stimulated Luminescence ◽  
Monte Carlo Approach ◽  
Stochastic Uncertainties
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