Issue 11, 2014
From the journal:

Physical Chemistry Chemical Physics

Exploring energy landscapes: from molecular to mesoscopic systems

Dwaipayan Chakrabarti,*ab   Halim Kusumaatmaja,ac   Victor Rühlea  and  David J. Wales*a  

* Corresponding authors

a Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, UK
E-mail: dw34@cam.ac.uk

b School of Chemistry, University of Birmingham, Edgbaston, Birmingham B15 2TT, UK
E-mail: d.chakrabarti@bham.ac.uk

c Department of Physics, Durham University, South Road, Durham DH1 3LE, UK

Abstract

We review a comprehensive computational framework to survey the potential energy landscape for systems composed of rigid or partially rigid molecules. Illustrative case studies relevant to a wide range of molecular clusters and soft and condensed matter systems are discussed.

Graphical abstract: Exploring energy landscapes: from molecular to mesoscopic systems

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Article information

DOI
https://doi.org/10.1039/C3CP52603H
Article type
Perspective
Submitted
23 Jun 2013
Accepted
04 Sep 2013
First published
05 Sep 2013

Phys. Chem. Chem. Phys., 2014,16, 5014-5025

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Exploring energy landscapes: from molecular to mesoscopic systems

D. Chakrabarti, H. Kusumaatmaja, V. Rühle and D. J. Wales, Phys. Chem. Chem. Phys., 2014, 16, 5014 DOI: 10.1039/C3CP52603H

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