Nuwan Dewapriya's picture

Visualizing LAMMPS molecular dynamics trajectories using visual molecular dynamics (VMD)

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.

Nuwan Dewapriya's picture

Installing and running LAMMPS molecular dynamics package: nanoscale tensile test of a graphene nanoribbon using LAMMPS

I have recently created a webpage to share my knowledge on LAMMPS. I have shared some useful information and links to valuable web pages. I think my webpage contains enough information for someone to install and run LAMMPS. To demonstrate the simulation procedure of LAMMPS, I performed an uniaxial tensile test on a graphene nanoribbon. The required LAMMPS input files for the simulation is also available online. The web page is still a part of another web page, I'll create a separate one soon. You may have a look at the current version: (under "Extra" tab)

Dibakar Datta's picture

Postdoctoral Research Associate at University of Pennsylvania :: Modeling of nanomaterials and soft materials

 A postdoctoral position with primary focus on molecular dynamics simulations is available immediately at Shenoy Research Group  under the direction of Prof. Vivek B. Shenoy .  We are looking for a strongly motivated candidate to work on modeling of nanomaterials and soft materials. The ideal candidate will have a background in materials science/computational physics with expertise in molecular dynamics simulations with LAMMPS or other packages.  This individual will have the opportunity to be directly involved in complimentary experimental investigations, both at Penn and our collaborators in industry. 

NNIN/C Computational Cluster at U-M open to researchers

The National Nanotechnology Infrastructure Network’s computational project (NNIN/C) is a multi-university initiative, funded by the National Science Foundation (NSF) as part of NNIN, to establish a user accessible national computing resource for nanotechnology. This network is open to the academic and industrial research community and provides hardware resources and simulation tools dedicated to nanoscience

 The “Michigan Nano Computational Cluster” (MNC2) consists of 14 nodes. Each compute node contains a hexa-core Intel Xeon X5660 processor running at 2.66 GHz, 24 GB of memory. MNC2 contains 168 processing cores linked with Gigabit ethernet, 12 TB of disk space.

Dibakar Datta's picture

For Beginners :: Problems & Solutions in Molecular Simulations in Mechanics and Physics ( with Matlab Code & LAMMPS Script)

FOR BEGINNERS :::::  I have uploaded Problems & Solutions in Molecular Simulations in Mechanics and Physics ( with Matlab Code & LAMMPS Script) .


I have also added a short note on Atomic Stress Computation

Postdoc position at UConn: Mechanical behavior of cellular filaments

A postdoctoral position is available at the Mechanical Engineering Department of the University of Connecticut in the area of coarse-grain molecular dynamics simulation of cellular membranes and filaments. Extensive experience in molecular dynamics simulation of soft materials and parallel coding is required. Experience in the use of force fields and LAMMPS is highly desirable.

Please send a CV, a brief description of computational skills, relevant published or accepted for publication papers in refereed journals, and the names and e-mail addresses of three references to George Lykotrafitis (


Regarding LAMMPS

Is there anyone using LAMMPS for nano-mechanics? or for dislocation analysis?

I would like to discuss few things.

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