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Statistical Mechanics and Molecular Simulation of Open Systems

A special issue of Entropy (ISSN 1099-4300). This special issue belongs to the section "Statistical Physics".

Deadline for manuscript submissions: closed (15 December 2018)

Special Issue Editors

Laboratory for Molecular Modeling, National Institute of Chemistry, Hajdrihova 19, SI-1001 Ljubljana, Slovenia
Interests: computational physics; multiscale modeling & simulation; simulation of soft and biological matter
Institute for Mathematics, Freie Universit¨at, Arnimallee 6, D-14195 Berlin, Germany
Interests: theoretical physics; mathematical physics; quantum and classical statistical mechanics; theory of open systems; molecular simulation

Special Issue Information

Dear Colleagues,

The term open systemsin statistical mechanics refers to the process of exchange between a physical system and an external source. The latter can mimic a large scale environment, in which the system is embedded, and thus be an energy reservoir (e.g., thermostat or barostat) or both particle and energy reservoir. Such a source can also be an artificial external perturbation that drives the system out of equilibrium. For molecular systems, the use of molecular simulation, as a tool for studying such systems, at first poses a question of how to merge established concepts of statistical mechanics with the computational demand of efficiency for open systems. However, molecular simulations allow in concrete to explore systems and phenomena that often go beyond the standard situations of textbook statistical mechanics and need further conceptual steps forward. In this perspective, the aim of this Special Issue is to gather recent developments and applications of molecular simulation for systems that receive an input from the exterior. The subjects may range from the latest developments in the field of thermostats up to Grand-Canonical setups that allow the exchange of matter, or to problems of externally driven systems. The goal is to draw and develop synergies among the different approaches and applications so that a clear picture of the state-of-the-art and a clear indication of future perspectives and open problems can emerge at both computational and conceptual levels.

Prof. Dr. Matej Praprotnik
Prof. Dr. Luigi Delle Site
Guest Editors

Manuscript Submission Information

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. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short 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 thoroughly refereed through a single-blind 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 2600 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Published Papers

There is no accepted submissions to this special issue at this moment.
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