MontePython: implementing quantum Monte Carlo using Python

DOI10.1016/J.CPC.2007.06.013zbMATH Open1196.81073arXivphysics/0609191OpenAlexW2029582284WikidataQ122676435 ScholiaQ122676435MaRDI QIDQ710129FDOQ710129

Jon Kristian Nilsen

Publication date: 18 October 2010

Published in: Computer Physics Communications (Search for Journal in Brave)

Abstract: We present a cross-language C++/Python program for simulations of quantum mechanical systems with the use of Quantum Monte Carlo (QMC) methods. We describe a system for which to apply QMC, the algorithms of variational Monte Carlo and diffusion Monte Carlo and we describe how to implement theses methods in pure C++ and C++/Python. Furthermore we check the efficiency of the implementations in serial and parallel cases to show that the overhead using Python can be negligible.

Full work available at URL: https://arxiv.org/abs/physics/0609191

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zbMATH Keywords

MPIBose-Einstein condensationquantum Monte CarloC++\textit{Python}\texttt{MontePython}

Mathematics Subject Classification ID

Monte Carlo methods (65C05) Computational methods for problems pertaining to quantum theory (81-08)

Cites Work

• Equation of State Calculations by Fast Computing Machines
• Title not available (Why is that?)
• Numerical recipes in C++. The art of scientific computing
• Title not available (Why is that?)

Cited In (4)

• Talus - A quantum Monte Carlo modelling suite
• A python program for the implementation of the \(\varGamma\)-method for Monte Carlo simulations
• MontePython
• Python for Unified Research in Econometrics and Statistics

Uses Software

• SPRNG
• SWIG
• MayaVi
• SciPy
• Mayavi
• Python
• PyVTK

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