Communication: Newton homotopies for sampling stationary points of potential energy landscapes-Reference-Cited by-同舟云学术

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Communication: Newton homotopies for sampling stationary points of potential energy landscapes

Published:2014-09-28 Issue:12 Volume:141 Page:121104
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Mehta Dhagash¹²,Chen Tianran³,Hauenstein Jonathan D.¹,Wales David J.²

Affiliation:

1. Department of Applied and Computational Mathematics and Statistics, University of Notre Dame, Notre Dame, Indiana 46556, USA

2. University Chemical Laboratory, The University of Cambridge, Cambridge CB2 1EW, United Kingdom

3. Department of Mathematics, Michigan State University, East Lansing, Michigan 48823, USA

Funder

Defense Advanced Research Projects Agency

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4896657

Reference60 articles.

1. Monte Carlo-minimization approach to the multiple-minima problem in protein folding.

2. Global Optimization by Basin-Hopping and the Lowest Energy Structures of Lennard-Jones Clusters Containing up to 110 Atoms

3. Global Optimization of Clusters, Crystals, and Biomolecules

4. Equilibrium thermodynamics from basin-sampling

5. Low-Temperature Structural Transitions: Circumventing the Broken-Ergodicity Problem

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