Literature DB >> 17501010

Fast algorithm to calculate density of states.

R E Belardinelli1, V D Pereyra.   

Abstract

An algorithm to calculate the density of states, based on the well-known Wang-Landau method, is introduced. Independent random walks are performed in different restricted ranges of energy, and the resultant density of states is modified by a function of time, F(t) proportional to t-1, for large time. As a consequence, the calculated density of state, gm(E,t) , approaches asymptotically the exact value g(ex)(E) as proportional to t-1/2, avoiding the saturation of the error. It is also shown that the growth of the interface of the energy histogram belongs to the random deposition universality class.

Year:  2007        PMID: 17501010     DOI: 10.1103/PhysRevE.75.046701

Source DB:  PubMed          Journal:  Phys Rev E Stat Nonlin Soft Matter Phys        ISSN: 1539-3755


  7 in total

1.  Electric field-driven disruption of a native beta-sheet protein conformation and generation of a helix-structure.

Authors:  Pedro Ojeda-May; Martin E Garcia
Journal:  Biophys J       Date:  2010-07-21       Impact factor: 4.033

2.  Enhanced sampling in generalized ensemble with large gap of sampling parameter: case study in temperature space random walk.

Authors:  Cheng Zhang; Jianpeng Ma
Journal:  J Chem Phys       Date:  2009-05-21       Impact factor: 3.488

3.  Monte Carlo simulations of proteins in cages: influence of confinement on the stability of intermediate states.

Authors:  Pedro Ojeda; Martin E Garcia; Aurora Londoño; Nan-Yow Chen
Journal:  Biophys J       Date:  2009-02       Impact factor: 4.033

4.  Optimal updating magnitude in adaptive flat-distribution sampling.

Authors:  Cheng Zhang; Justin A Drake; Jianpeng Ma; B Montgomery Pettitt
Journal:  J Chem Phys       Date:  2017-11-07       Impact factor: 3.488

5.  Microcanonical coarse-graining of the kinetic Ising model.

Authors:  Daniel Sigg; Vincent A Voelz; Vincenzo Carnevale
Journal:  J Chem Phys       Date:  2020-02-28       Impact factor: 3.488

6.  Configurational entropy of a finite number of dumbbells close to a wall.

Authors:  Markus Hütter
Journal:  Eur Phys J E Soft Matter       Date:  2022-01-24       Impact factor: 1.890

7.  A journey through mapping space: characterising the statistical and metric properties of reduced representations of macromolecules.

Authors:  Roberto Menichetti; Marco Giulini; Raffaello Potestio
Journal:  Eur Phys J B       Date:  2021-10-12       Impact factor: 1.500

  7 in total

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