Exchange Monte Carlo Method and Application to Spin Glass Simulations
Koji Hukushima,Koji Nemoto +1 more
2.3K
TL;DR: In this article, an efficient Monte Carlo algorithm for simulating a "hardly relaxing" system, in which many replicas with different temperatures are simultaneously simulated and a virtual process exchanging configurations of these replicas is introduced.
read more
Abstract: We propose an efficient Monte Carlo algorithm for simulating a “hardly-relaxing” system, in which many replicas with different temperatures are simultaneously simulated and a virtual process exchanging configurations of these replicas is introduced. This exchange process is expected to let the system at low temperatures escape from a local minimum. By using this algorithm the three-dimensional ± J Ising spin glass model is studied. The ergodicity time in this method is found much smaller than that of the multi-canonical method. In particular the time correlation function almost follows an exponential decay whose relaxation time is comparable to the ergodicity time at low temperatures. It suggests that the system relaxes very rapidly through the exchange process even in the low temperature phase.
read more
Chat with Paper
AI Agents for this Paper
Find similar papers on Google Scholar, PubMed and Arxiv
Write a critical review of this paper
Analyze citations of this paper to find unaddressed research gaps
Citations
Structural Basis for the Interaction of isoDGR with the RGD-binding Site of αvβ3 Integrin
Andrea Spitaleri,Silvia Mari,Flavio Curnis,Catia Traversari,Renato Longhi,Claudio Bordignon,Angelo Corti,Gian Paolo Rizzardi,Giovanna Musco +8 more
TL;DR: Support is provided for the hypothesis that NGR → isoDGR transition can work as a molecular timer for activating latent integrin-binding sites in proteins, thus regulating protein function.
101
Generalized Replica Exchange Method
TL;DR: A significant improvement over the power-law slowing down of mean tunneling times with increasing system size is obtained, and the underlying mechanism for accelerated tunneling is discussed.
100
Protein fragment reconstruction using various modeling techniques
TL;DR: Comparison between the various reduced models strongly suggests that the essential ingredient for the sucessful and accurate modeling of protein structures is not the representation of conformational space but, rather, the specificity of the force fields used and, perhaps, the sampling techniques employed.
Detection of intrinsic source structure at ~3 Schwarzschild radii with Millimeter-VLBI observations of SAGITTARIUS A*.
Ru-Sen Lu,Ru-Sen Lu,Thomas P. Krichbaum,Alan L. Roy,Vincent L. Fish,Sheperd S. Doeleman,Sheperd S. Doeleman,Michael D. Johnson,Kazunori Akiyama,Kazunori Akiyama,Dimitrios Psaltis,Walter Alef,Keiichi Asada,Christopher Beaudoin,Alessandra Bertarini,Alessandra Bertarini,Lindy Blackburn,Ray Blundell,Geoffrey C. Bower,Christiaan D. Brinkerink,Avery E. Broderick,Avery E. Broderick,Roger J. Cappallo,Geoffrey B. Crew,Jason Dexter,Matt Dexter,Heino Falcke,Heino Falcke,Heino Falcke,Robert Freund,Per Friberg,Christopher H. Greer,Mark Gurwell,Paul T. P. Ho,Mareki Honma,Makoto Inoue,Junhan Kim,James W. Lamb,Michael Lindqvist,David MacMahon,Daniel P. Marrone,Ivan Marti-Vidal,Karl M. Menten,James M. Moran,Neil M. Nagar,Richard L. Plambeck,Rurik A. Primiani,Alan E. E. Rogers,Eduardo Ros,Eduardo Ros,Helge Rottmann,Jason SooHoo,Justin Spilker,Justin Spilker,Jordan M. Stone,Peter A. Strittmatter,Remo P. J. Tilanus,Remo P. J. Tilanus,Michael Titus,Laura Vertatschitsch,Jan Wagner,Jan Wagner,Jonathan Weintroub,Melvyn Wright,Ken H. Young,J. Anton Zensus,Lucy M. Ziurys +66 more
TL;DR: In this article, the authors report results from very long baseline interferometric (VLBI) observations of the supermassive black hole in the Galactic center, Sgr A*, at 1.3 mm (230 GHz).
97
Secondary-structure preferences of force fields for proteins evaluated by generalized-ensemble simulations
Takao Yoda,Yuji Sugita,Yuko Okamoto +2 more
- 27 Dec 2004
TL;DR: In this paper, the secondary-structure forming tendencies of six well-known protein force fields were examined for six peptides: AMBER94, AMBER96, AMber99, CHARMM22, OPLS-AA/L, and GROMOS96.
96
References
Theory of spin glasses
Sam F. Edwards,Peter J. Anderson +1 more
TL;DR: In this paper, a new theory of spin glasses is proposed, which offers a simple explanation of the cusp found experimentally in the susceptibility, which is smoothed by an external field.
4K
Nonuniversal critical dynamics in Monte Carlo simulations
TL;DR: A new approach to Monte Carlo simulations is presented, giving a highly efficient method of simulation for large systems near criticality, despite the fact that the algorithm violates dynamic universality at second-order phase transitions.
3.1K
Collective Monte Carlo updating for spin systems.
TL;DR: A Monte Carlo algorithm is presented that updates large clusters of spins simultaneously in systems at and near criticality and its efficiency is demonstrated in the two-dimensional $\mathrm{O}(n)$ $\ensuremath{\sigma}$ models.
2.7K
Simulated tempering: a new Monte Carlo scheme
TL;DR: In this article, the authors proposed a new global optimization method (Simulated Tempering) for simulating effectively a system with a rough free-energy landscape (i.e., many coexisting states) at finite nonzero temperature.
Multicanonical ensemble: A new approach to simulate first-order phase transitions.
Bernd A. Berg,Thomas Neuhaus +1 more
TL;DR: A numerical simulation of the first-order phase transition in the 2D 10-state Potts model on lattices up to sizes 100 and a high-precision computation of the interfacial free energy per unit area is reported.
1.7K