molecular dynamics

Abstract

A multiscale modeling scheme based on peridynamic theory

Applications are invited for few open positions in the area of
multiscale simulation of fatigue and fracture of advanced alloys and
nano-material based composites. Primary focus of this research is investigation
of fatigue and fracture behavior of nanomaterials and to develope various
constitutive models for continuum, based on large scale atomistic simulations.
Research effort will include development of analysis and design methods toward
improving material/structural behaviour using computer simulation. Interested
candidates should have preferably MTech/ME degree in
mechanical/civil/aerospace/material engineering discipline with good knowledge

European Commission' s JRC (Joint Research Centre) is organizing the 3rd workshop on physics based material models and experimental observations (http://iwpmeo.org/) in collaboration with University of Oxford, Max-Planck-Institut für Eisenforschung and Middle East Technical University. The workshop will be held in Izmir/Turkey on 2-4 June 2014.

The role of graphene in enhancing the stiffness of polymeric material: A molecular modeling approach

R. Rahman

Abstract:

It is very important to visualize molecular dynamics (MD) trajectories since there are many aspects of MD simulations which are difficult to identify without a proper visualization tool. Improper bounday condition in MD is one of such examples. I use Visual Molecular Dynamics (VMD) to visualize my MD simulations. Some of my movies, created using VMD, are shown below.

 Likun Tan, Amit Acharya and Kaushik Dayal (To appear in JMPS)