Flying onto global minima on potential energy surfaces: A swarm intelligence guided route to molecular electronic structure-Reference-Cited by-同舟云学术

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Flying onto global minima on potential energy surfaces: A swarm intelligence guided route to molecular electronic structure

Published:2016-11-12 Issue:5 Volume:117 Page:e25328
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int. J. Quantum Chem.

Author:

Shukla Rishabh¹^ORCID,Ray Debmalya²,Sarkar Kanchan³,Kumar Dixit Mayank⁴,Prasad Bhattacharyya Shankar⁴

Affiliation:

1. Department of Chemistry; Indian Institute of Technology Guwahati; Kamrup Assam 781039 India

2. Department of Chemistry; Indian Institute of Technology Kanpur; Kanpur Uttar Pradesh 208016 India

3. Department of Physical Chemistry; Indian Association for the Cultivation of Science; Kolkata 700032 India

4. Department of Chemistry; Indian Institute of Technology Bombay; Powai Mumbai 400076 India

Funder

NSF/EAR

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Reference24 articles.

1. Optimization by Simulated Annealing

2. New optimization method for conformational energy calculations on polypeptides: Conformational space annealing

3. Global optimization of molecular geometry: A new avenue involving the use of Metropolis simulated annealing

4. Parallel tempering algorithm for conformational studies of biological molecules

5. Predicting Crystal Structures: The Parrinello-Rahman Method Revisited

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