Special Issue "Molecular Dynamics Simulation"

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A special issue of Entropy (ISSN 1099-4300).

Deadline for manuscript submissions: closed (30 September 2013)

Special Issue Editors

Guest Editor
Prof. Dr. Giovanni Ciccotti
Department of Physics, University of Roma “La Sapienza”, La Sapienza,00185 Roma, Italy
Website: http://abaddon.phys.uniroma1.it/index.php/group-members/gciccotti
E-Mail: giovanni.ciccotti@roma1.infn.it
Interests: methods in molecular dynamics simulation of systems of statistical mechanical interest, equilibrium and non equilibrium molecular dynamics, rare events, computer simulation of complex molecular systems

Guest Editor
Prof. Dr. Mauro Ferrario
Department of Physics, University of Modena and Reggio Emilia, Via G. Campi 213, A 41100 Modena Italy
Website: http://personale.unimore.it/rubrica/dettaglio/ferrario
E-Mail: Mauro.Ferrario@unimore.it
Interests: molecular dynamics simulation of condensed matter systems; solvation in h-bonded liquids; friction at the nanoscale

Guest Editor
Prof. Dr. Christof Schuette
Freie Universitaet Berlin, Institute of Mathematics, Arnimallee 6, 14195 Berlin, Germany
E-Mail: schuette@math.fu-berlin.de
Interests: rare events statistics in molecular dynamics, coarse graining in molecular dynamics, conformation dynamics

Special Issue Information

Submission

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. Papers will be published continuously (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are refereed through a peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Entropy is an international peer-reviewed Open Access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 1200 CHF (Swiss Francs).

Printed Edition Available!

A printed edition of this special issue is available via books.mdpi.com.

Price: 89 CHF (hardcover, excl. shipping), 9 CHF (PDF version), free online access

Published Papers (24 papers)

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Displaying article 1-24
p. 4199-4245
by ,  and
Entropy 2014, 16(8), 4199-4245; doi:10.3390/e16084199
Received: 3 June 2014; in revised form: 10 July 2014 / Accepted: 11 July 2014 / Published: 28 July 2014
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(This article belongs to the Special Issue Molecular Dynamics Simulation)
p. 418-442
by  and
Entropy 2014, 16(1), 418-442; doi:10.3390/e16010418
Received: 27 October 2013; in revised form: 13 December 2013 / Accepted: 16 December 2013 / Published: 2 January 2014
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(This article belongs to the Special Issue Molecular Dynamics Simulation)
p. 258-286
by , ,  and
Entropy 2014, 16(1), 258-286; doi:10.3390/e16010258
Received: 18 September 2013; in revised form: 3 December 2013 / Accepted: 9 December 2013 / Published: 30 December 2013
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(This article belongs to the Special Issue Molecular Dynamics Simulation)
p. 287-321
by , ,  and
Entropy 2014, 16(1), 287-321; doi:10.3390/e16010287
Received: 22 September 2013; in revised form: 27 November 2013 / Accepted: 28 November 2013 / Published: 30 December 2013
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(This article belongs to the Special Issue Molecular Dynamics Simulation)
p. 322-349
by
Entropy 2014, 16(1), 322-349; doi:10.3390/e16010322
Received: 17 September 2013; in revised form: 15 October 2013 / Accepted: 18 October 2013 / Published: 30 December 2013
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(This article belongs to the Special Issue Molecular Dynamics Simulation)
p. 350-376
by , , ,  and
Entropy 2014, 16(1), 350-376; doi:10.3390/e16010350
Received: 13 September 2013; in revised form: 8 October 2013 / Accepted: 22 November 2013 / Published: 30 December 2013
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(This article belongs to the Special Issue Molecular Dynamics Simulation)
p. 23-40
by
Entropy 2014, 16(1), 23-40; doi:10.3390/e16010023
Received: 25 June 2013; in revised form: 7 August 2013 / Accepted: 11 September 2013 / Published: 27 December 2013
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(This article belongs to the Special Issue Molecular Dynamics Simulation)
p. 41-61
by  and
Entropy 2014, 16(1), 41-61; doi:10.3390/e16010041
Received: 10 October 2013; in revised form: 12 November 2013 / Accepted: 19 November 2013 / Published: 27 December 2013
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(This article belongs to the Special Issue Molecular Dynamics Simulation)
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p. 62-85
by , ,  and
Entropy 2014, 16(1), 62-85; doi:10.3390/e16010062
Received: 18 September 2013; in revised form: 12 December 2013 / Accepted: 16 December 2013 / Published: 27 December 2013
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(This article belongs to the Special Issue Molecular Dynamics Simulation)
p. 86-109
by  and
Entropy 2014, 16(1), 86-109; doi:10.3390/e16010086
Received: 11 November 2013; in revised form: 10 December 2013 / Accepted: 19 December 2013 / Published: 27 December 2013
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(This article belongs to the Special Issue Molecular Dynamics Simulation)
p. 110-137
by ,  and
Entropy 2014, 16(1), 110-137; doi:10.3390/e16010110
Received: 13 June 2013; in revised form: 10 July 2013 / Accepted: 9 September 2013 / Published: 27 December 2013
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(This article belongs to the Special Issue Molecular Dynamics Simulation)
p. 138-162
by
Entropy 2014, 16(1), 138-162; doi:10.3390/e16010138
Received: 19 September 2013; in revised form: 20 November 2013 / Accepted: 4 December 2013 / Published: 27 December 2013
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(This article belongs to the Special Issue Molecular Dynamics Simulation)
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p. 163-199
by  and
Entropy 2014, 16(1), 163-199; doi:10.3390/e16010163
Received: 13 September 2013; in revised form: 7 November 2013 / Accepted: 11 November 2013 / Published: 27 December 2013
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(This article belongs to the Special Issue Molecular Dynamics Simulation)
p. 200-220
by  and
Entropy 2014, 16(1), 200-220; doi:10.3390/e16010200
Received: 25 September 2013; in revised form: 21 October 2013 / Accepted: 22 October 2013 / Published: 27 December 2013
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(This article belongs to the Special Issue Molecular Dynamics Simulation)
p. 221-232
by  and
Entropy 2014, 16(1), 221-232; doi:10.3390/e16010221
Received: 25 September 2013; in revised form: 9 October 2013 / Accepted: 18 October 2013 / Published: 27 December 2013
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(This article belongs to the Special Issue Molecular Dynamics Simulation)
p. 233-257
by  and
Entropy 2014, 16(1), 233-257; doi:10.3390/e16010233
Received: 10 November 2013; in revised form: 26 November 2013 / Accepted: 16 December 2013 / Published: 27 December 2013
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(This article belongs to the Special Issue Molecular Dynamics Simulation)
p. 4802-4821
by
Entropy 2013, 15(11), 4802-4821; doi:10.3390/e15114802
Received: 13 August 2013; in revised form: 28 October 2013 / Accepted: 31 October 2013 / Published: 5 November 2013
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(This article belongs to the Special Issue Molecular Dynamics Simulation)
p. 4569-4588
by , , , ,  and
Entropy 2013, 15(11), 4569-4588; doi:10.3390/e15114569
Received: 6 August 2013; in revised form: 15 October 2013 / Accepted: 18 October 2013 / Published: 24 October 2013
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(This article belongs to the Special Issue Molecular Dynamics Simulation)
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p. 4300-4309
by
Entropy 2013, 15(10), 4300-4309; doi:10.3390/e15104300
Received: 26 June 2013; Accepted: 6 October 2013 / Published: 10 October 2013
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(This article belongs to the Special Issue Molecular Dynamics Simulation)
p. 3941-3969
by  and
Entropy 2013, 15(9), 3941-3969; doi:10.3390/e15093941
Received: 29 July 2013; in revised form: 6 September 2013 / Accepted: 16 September 2013 / Published: 23 September 2013
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(This article belongs to the Special Issue Molecular Dynamics Simulation)
p. 3640-3687
by  and
Entropy 2013, 15(9), 3640-3687; doi:10.3390/e15093640
Received: 16 February 2013; in revised form: 15 July 2013 / Accepted: 28 August 2013 / Published: 6 September 2013
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(This article belongs to the Special Issue Molecular Dynamics Simulation)
p. 3734-3745
by ,  and
Entropy 2013, 15(9), 3734-3745; doi:10.3390/e15093734
Received: 21 July 2013; in revised form: 2 September 2013 / Accepted: 3 September 2013 / Published: 6 September 2013
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(This article belongs to the Special Issue Molecular Dynamics Simulation)
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p. 3249-3264
by
Entropy 2013, 15(8), 3249-3264; doi:10.3390/e15083339
Received: 30 June 2013; in revised form: 5 August 2013 / Accepted: 7 August 2013 / Published: 13 August 2013
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(This article belongs to the Special Issue Molecular Dynamics Simulation)
p. 1232-1246
by , ,  and
Entropy 2013, 15(4), 1232-1246; doi:10.3390/e15041232
Received: 6 January 2013; in revised form: 18 March 2013 / Accepted: 18 March 2013 / Published: 8 April 2013
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(This article belongs to the Special Issue Molecular Dynamics Simulation)
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Last update: 2 December 2014

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