scholarly journals FEASST: Free Energy and Advanced Sampling Simulation Toolkit

2018 ◽  
Vol 123 ◽  
Author(s):  
Harold W. Hatch ◽  
Nathan A. Mahynski ◽  
Vincent K. Shen
Keyword(s):  
Monte Carlo ◽  
Free Energy ◽  
Open Source ◽  
Monte Carlo Methods ◽  
Transition Matrix ◽  
Advanced Sampling ◽  
Free Open Source

The Free Energy and Advanced Sampling Simulation Toolkit (FEASST) is a free, open-source, modular program to conduct molecular and particle-based simulations with Metropolis, Wang-Landau, and Transition-Matrix Monte Carlo methods. FEASST is implemented in C++ and may be imported as a module within Python 2 or 3. This document describes the initial public release version 1.0.

Monte Carlo methods for the study of cation ordering in minerals

2001 ◽  
Vol 65 (2) ◽  
pp. 221-248 ◽  
Author(s):  
M. C. Warren ◽  
M. T. Dove ◽  
E. R. Myers ◽  
A. Bosenick ◽  
E. J. Palin ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Free Energy ◽  
Long Range ◽  
Monte Carlo Methods ◽  
Disordered Systems ◽  
Short Range ◽  
Short Range Order ◽  
Parallel Computers ◽  
Cation Ordering

AbstractThis paper reviews recent applications of Monte Carlo methods for the study of cation ordering in minerals. We describe the program Ossia99, designed for the simulation of complex ordering processes and for use on parallel computers. A number of applications for the study of long-range and short-range order are described, including the use of the Monte Carlo methods to compute quantities measured in an NMR experiment. The method of thermodynamic integration for the determination of the free energy is described in some detail, and several applications of the method to determine the thermodynamics of disordered systems are outlined.

Technical note: GAMMORA, a free, open-source, and validated GATE-based model for Monte-Carlo simulations of the Varian TrueBeam

2021 ◽  
Vol 89 ◽  
pp. 211-218
Author(s):  
Jeremy Leste ◽  
Tony Younes ◽  
Maxime Chauvin ◽  
Xavier Franceries ◽  
Alexia Delbaere ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Open Source ◽  
Technical Note ◽  
Free Open Source
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