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University of Illinois at Urbana-Champaign
Monte Carlo Methods: Application to Hydrogen Gas and Hard Spheres
Abstract
dc:descriptionThe challenges in constructing an efficient CEIMC simulation center mostly around the noisy results generated from the QMC computations of the electronic energy. We introduce two complementary techniques, one for tolerating the noise and the other for reducing it. The penalty method modifies the Metropolis acceptance ratio to tolerate noise without introducing a bias in the simulation of the nuclei. For reducing the noise, we introduce the two-sided energy difference method, which uses correlated sampling to compute the energy change associated with a trial move of the nuclear coordinates. Unlike the standard reweighting method, it remains stable as the energy difference increases.
Degree
thesis:*- Name thesis:degree_name
- Ph.D.
- Level thesis:degree_level
- Dissertation
- Discipline thesis:degree_discipline
- Physics
- Grantor
- University of Illinois at Urbana-Champaign
- Year dc:date
- 2015
Author and committee
dc:creator, dc:contributor.*- Author dc:creator
-
- Dewing, Mark Douglas
- Contributors dc:contributor
-
- Ceperley, David M.
Subjects
dc:subject × 1Rights
- Language dc:language
- eng
Identifiers
dc:identifier.*- Identifier
- (MiAaPQ)AAI9996627
- OAI identifier oai:identifier
- oai:www.ideals.illinois.edu:2142/80694