User: Guest  Login
Document type:
Konferenzbeitrag 
Author(s):
M. Schoeberl, N.Zabaras, P.S.Koutsourelakis 
Title:
Predictive Coarse-Graining 
Abstract:
Brute-force molecular dynamics simulations are limited by the exuberant number of degrees of freedom and the relatively small time-steps. As a result, only relatively small assemblies of molecules over small time spans are accessible with current and foreseeable computational capabilities. In order to overcome this limitation, coarse-grained models have been proposed which employ a much smaller number of degrees of freedom. These are based on the definition of a deterministic map from fine-...    »
 
Book / Congress title:
Predictive Multiscale Materials Modelling 
Congress (additional information):
Turing Gateway to Mathematics, Isaac Newton Institute for Mathematical Sciences, Cambridge University 
Date of publication:
01.12.2015 
Year:
2015 
Year / month:
2015-12