Baeurle, Stephan A. (2004) Grand canonical auxiliary field Monte Carlo: a new technique for simulating open systems at high density. COMPUTER PHYSICS COMMUNICATIONS, 157 (3). pp. 201-206. ISSN 0010-4655, 1879-2944
Full text not available from this repository. (Request a copy)Abstract
The computation of open many-particle systems at high densities is a major challenge since many decades due to the inherent limitations of grand canonical simulation methods based on particle exchange algorithms. In this paper we report on the statistical convergence behavior in the high density regime of a recently developed alternative called the grand canonical auxiliary field Monte Carlo method. We show on a common soft matter model widely used in polymer simulation that it possesses a more appropriate statistical behavior in the dense regime than the currently employed grand canonical Monte Carlo methods relying on particle exchange algorithms. (C) 2003 Elsevier B.V. All rights reserved.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | MOLECULAR-DYNAMICS SIMULATIONS; GAUSSIAN CORE MODEL; CARBON NANOTUBES; COMPUTER-SIMULATION; HYDROGEN STORAGE; FLUIDS; ENSEMBLE; COEXISTENCE; ADSORPTION; COLLOIDS; grand canonical auxiliary field Monte Carlo; field-theoretic simulation method; dense open systems; numerical sign problem; classical statistical mechanics |
| Subjects: | 500 Science > 530 Physics 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Chair of Chemistry III - Physical Chemistry (Molecular Spectroscopy and Photochemistry) > PD Dr. Stephan Baeurle |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 21 Jul 2021 11:02 |
| Last Modified: | 21 Jul 2021 11:02 |
| URI: | https://pred.uni-regensburg.de/id/eprint/37910 |
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