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A Multigrid Algorithm for Sampling Imaginary-Time Paths in Quantum Monte Carlo Simulations
- Source :
- The Journal of Physical Chemistry B. 108:6760-6766
- Publication Year :
- 2004
- Publisher :
- American Chemical Society (ACS), 2004.
-
Abstract
- We describe a novel simulation method that eliminates the slowing-down problem in the Monte Carlo (MC) simulations of imaginary-time path integrals near the continuum limit. This method combines a stochastic blocking procedure with the multigrid method to rapidly accelerate the sampling of paths in a quantum MC simulation, making its dynamics more ergodic. The effectiveness and efficiency of this method are demonstrated for several one-dimensional quantum systems and compared to other standard and accelerated methods.
- Subjects :
- 010304 chemical physics
Computer science
Quantum Monte Carlo
Monte Carlo method
01 natural sciences
Surfaces, Coatings and Films
Hybrid Monte Carlo
0103 physical sciences
Materials Chemistry
Dynamic Monte Carlo method
Monte Carlo integration
Monte Carlo method in statistical physics
Statistical physics
Parallel tempering
Physical and Theoretical Chemistry
010306 general physics
Monte Carlo molecular modeling
Subjects
Details
- ISSN :
- 15205207 and 15206106
- Volume :
- 108
- Database :
- OpenAIRE
- Journal :
- The Journal of Physical Chemistry B
- Accession number :
- edsair.doi...........32d41e4cb9457c19a5aad54b02589606
- Full Text :
- https://doi.org/10.1021/jp0371027