Ascalaph  suite
for Molecular Mechanics simulations

A postdoctoral associate position at MIT is available immediately,
focused on the analysis and development of multifunctional thermal
management structures, by using theoretical and atomistic multiscale
modeling and simulation. This project specifically involves calculations
of thermal and mechanical properties of graphene based metal- and
polymer nanocomposites, with a focus on various aspects such as
interfacial transport properties, tunability, mutability and phonon
engineering. Additional aspects of the project relate to the general
area of mechanical energy transport in biological materials.

The Interdisciplinary Centre for Advanced Materials Simulation (ICAMS) is a new research centre at the 
Ruhr­University Bochum, Germany. At ICAMS an interdisciplinary team of scientists from engineering, 
materials science, chemistry, physics and mathematics is working on the development and application 
of a new generation of simulation tools for multi­scale materials modelling. 

We recently posted a work on void interaction in copper using molecular dynamic simulation:

A molecular dynamics study of void interaction in copper

http://dx.doi.org/10.1088/1757-899X/10/1/012175

Abstract

The Graduate School MUSIC (Multiscale Methods for Interface Coupling) invites to its first Summer School on Multiscale and Multiphysics Modelling of Interfaces at Leibniz Universitaet Hannover, Germany, from 15 to 17 September 2010.

One of the most significant factors in molecular dynamic simulatin is to choose the proper potential. Recently, I did some searching jobs on Vanadium (V) potential and finally decided which potential I am going to use. Here is a simple summary:
A brief introduction of EAM, F-S and MEAM potentials for BCC transition metals

The
Interdisciplinary Centre for Advanced Materials Simulation (ICAMS) is
a new research centre at the Ruhr-University Bochum, Germany. At
ICAMS an interdisciplinary team of scientists from engineering,
materials science, chemistry, physics and mathematics is working on
the development and application of a new generation of simulation
tools for multi-scale materials modelling.

Hi, everyone~

Has anyone done MD simulation about projectile? Like a rigid body penetrating a thin target? I have recently heard that a group in Uni of southern california did such a simulation before. I will be appreciated if someone could afford me some information.

Thanks in advance.

Regards

Xu

Dear All,

I am looking for a freeware molecular dynamics software working for Windows operative systems.

I have tried LAMMPS, but it seems to me that it works only under UNIX. 

Thank you very much in advance for any information.

Best wishes, Marco Paggi 

We have combined the EAM and the SW and the TF potentials in one
functional form. This functional form allows the modeling of metal
covalent systems (M-Si,Ge,C,SiC) very efficiently allowing the study of
large systems. The potential iscalled as the "Angular-dependent
Embedded Atom Method".

We have combined the EAM and the SW and the TF potentials in one functional form. This functional form allows the modeling of metal covalent systems (M-Si,Ge,C,SiC) very efficiently allowing the study of large systems. The potential iscalled as the "Angular-dependent Embedded Atom Method".

Please see the job-announcement attached, for a better format.
PhD or Postdoc position
The Interdisciplinary Centre for Advanced Materials Simulation (ICAMS) is a new research centre at the Ruhr-University Bochum, Germany. At ICAMS an interdisciplinary team of scientists from engineering, materials science, chemistry, physics and mathematics is working on the development and application of a new generation of simulation tools for multi-scale materials modelling.

Dear friends,

I want to share our recent research work on NiAl nanowire, which is published in Nanotechnology, IOP publishing. The abstract of the paper is given below. Further details can be found at "Vijay Kumar Sutrakar et al 2009 Nanotechnology 20 295705 (9pp)   doi: 10.1088/0957-4484/20/29/295705"

Hi Friends

I want to share some of our recent research work on the stress induced phase transformation of CuZr nanowire which is published in Materials Letters.

http://dx.doi.org/10.1016/j.matlet.2009.02.064

How does one calculate the phonon dispersion relations from the output of a molecular dynamics simuation? 

I have successfully calculated the complete phonon density of states using a fourier transform of the velocity autocorrelation function, but I am still confused as to how to calculate the particular phonon dispersion curves.

Thank you.

Can anybody tell me what is the most suitable software for molecular dynamic simulation of CNT from SIESTA and Material Studio?

I recently encountered the research of Phil Attard and others, in which the contact problem is solved, relaxing the restrictions of the traditional contact models (Hertz, JKR, DMT) and solving based on a formulation where the governing equations are derived using finite-range surface forces and calculated numerically, self-consistently.

I have enjoyed learning about such models and believe they may have practical application in nanomechanics. However, I find my breadth of my knowledge challenged when it comes to understanding the model's derivation.

We are seeking to hire an outstanding candidate as a post-doctoral fellow to work on large-scale molecular dynamics of polymers and polymer composites. The project focuses on the characterization of the molecular mechanisms that govern the mechanical responseof these materials. The successful candidate will work in the Strachan group and will have the opportunity to interact with experimentalists and theoreticians in academia, industry and national labs.