Literature DB >> 18693697

Kinetic reconstruction of the free-energy landscape.

Jan Wedekind1, David Reguera.   

Abstract

We present a new general method to trace back a lot of valuable information from direct simulations and experiments of activated processes. In particular, it allows the reconstruction of the free-energy landscape for an arbitrary reaction coordinate directly from the out-of-equilibrium dynamics of the process. We demonstrate the power of this concept by its application to a molecular dynamics simulation of nucleation of a Lennard-Jones vapor. The same method can be also applied to Brownian dynamics and stochastic simulations.

Year:  2008        PMID: 18693697     DOI: 10.1021/jp804014h

Source DB:  PubMed          Journal:  J Phys Chem B        ISSN: 1520-5207            Impact factor:   2.991


  5 in total

1.  Experimental measurement of the diamond nucleation landscape reveals classical and nonclassical features.

Authors:  Matthew A Gebbie; Hitoshi Ishiwata; Patrick J McQuade; Vaclav Petrak; Andrew Taylor; Christopher Freiwald; Jeremy E Dahl; Robert M K Carlson; Andrey A Fokin; Peter R Schreiner; Zhi-Xun Shen; Milos Nesladek; Nicholas A Melosh
Journal:  Proc Natl Acad Sci U S A       Date:  2018-08-01       Impact factor: 11.205

2.  Fast bilayer-micelle fusion mediated by hydrophobic dipeptides.

Authors:  Chenyu Wei; Andrew Pohorille
Journal:  Biophys J       Date:  2021-04-19       Impact factor: 3.699

3.  Optimization of crystal nucleation close to a metastable fluid-fluid phase transition.

Authors:  Jan Wedekind; Limei Xu; Sergey V Buldyrev; H Eugene Stanley; David Reguera; Giancarlo Franzese
Journal:  Sci Rep       Date:  2015-06-22       Impact factor: 4.379

4.  Two-step crystal growth mechanism during crystallization of an undercooled Ni50Al50 alloy.

Authors:  Simin An; Jiahao Li; Yang Li; Shunning Li; Qi Wang; Baixin Liu
Journal:  Sci Rep       Date:  2016-08-03       Impact factor: 4.379

5.  Pre-critical fluctuations and what they disclose about heterogeneous crystal nucleation.

Authors:  Martin Fitzner; Gabriele C Sosso; Fabio Pietrucci; Silvio Pipolo; Angelos Michaelides
Journal:  Nat Commun       Date:  2017-12-22       Impact factor: 14.919

  5 in total

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