Repository: Freie Universit├Ąt Berlin, Math Department

What is a Multiscale Problem in Molecular Dynamics?

Delle Site, L. (2014) What is a Multiscale Problem in Molecular Dynamics? Entropy (Special Issue), 16 (1). pp. 23-40. ISSN 1099-4300

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Abstract

In this work, we make an attempt to answer the question of what a multiscale problem is in Molecular Dynamics (MD), or, more in general, in Molecular Simulation (MS). By introducing the criterion of separability of scales, we identify three major (reference) categories of multiscale problems and discuss their corresponding computational strategies by making explicit examples of applications.

Item Type:Article
Subjects:Mathematical and Computer Sciences
Divisions:Department of Mathematics and Computer Science > Institute of Computer Science
Department of Mathematics and Computer Science > Institute of Mathematics > BioComputing Group
ID Code:1417
Deposited By: BioComp Admin
Deposited On:06 Jun 2014 09:41
Last Modified:06 Jun 2014 09:41

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