molecular dynamics

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. 

Tim Rupert's picture

Postdoctoral Scholar - Atomistic Simulation of Nanocrystalline Materials

A postdoctoral scholar position is currently available in the Nanoscale Mechanics and Materials Laboratory (NNML) at the University of California, Irvine.  We are seeking an individual with a strong background in atomistic simulation of materials.  The research project will focus on understanding structural evolution and failure processes in nanocrystalline materials, as well as damage and crack initiation at grain boundaries. A Ph.D. in Materials Science, Mechanical Engineering, Physics, or a related field is required.  Experience with parallel molecular dynamics codes (e.g., LAMMPS) is preferred, but capable and enthusiastic applicants with other computational backgrounds will also be considered.

jelawady's picture

Atomistic simulations of the interactions of hydrogen with dislocations in fcc metals

Atomistic simulations of the interactions of hydrogen with dislocations in fcc metals

Yizhe Tang and Jaafar A. El-Awady

Phys. Rev. B 86, 174102 (2012)

rlueptow's picture

Post-Doc in Molecular Dynamics

A post-doctoral researcher is sought for
molecular dynamics simulations of water and contaminant flow through polymeric
membranes.  The position will involve theory, molecular dynamics
simulations, and writing papers and proposals.  The ideal candidate will
have a PhD in physics, chemical engineering, or mechanical engineering with
experience in molecular dynamics simulations.  Strong writing skills are
mandatory.  The appointment is for one year, starting as soon as
possible.  The research will be performed at Northwestern University,

Erik Bitzek's picture

10 PhD Scholarships / Postdoctoral Positions in Computational Materials Science

The Cluster of Excellence ‘Engineering of Advanced Materials’ of the Friedrich-Alexander Universität Erlangen-Nürnberg is inviting applications for doctoral students and postdocs in the area of Computational Materials Science to join the institute for general materials properties, the computer chemistry center and/or the chair of theoretical chemistry.

Leon Mishnaevsky's picture


September 4-6, 2013     Frankfurt am Main, Germany

Objectives and topics:
of nanoengineering technologies and creation of nanomaterials opened
new perspectives for a number of areas of industry and everyday life.
These materials demonstrate increased strength, toughness,
biocompatibility, and can ensure higher service properties, reliability
and lifetime of devices and systems.

Mubeen's picture

Physical Foundations of Continuum Mechanics

After many publications and lecture notes, Prof. Ian Murdoch has finally organized much of that material in the form of a book.

I am very hopeful that like Prof. Murdoch's lectures, this monograph will also help the readers to develop a better understanding of the physical aspects of mechanics. It will be a valuable addition to the researchers' personal collection. 


more details in the flyer attached.


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

keten's picture

Postdoctoral Associate Position Available at Northwestern University

A postdoctoral associate position is available at the Computational Nanodynamics Group at Northwestern University. This research project focuses broadly on atomistic and multi-scale modeling and simulation of the mechanics and dynamics of organic, biological and bioinspired nanomaterials. The post-doctoral researcher will have the opportunity to investigate diverse issues related to mechanics and transport phenomena in emerging nanostructured materials. Specific domains of focus include self-assembling biomolecular materials, multifunctional structural materials, and hybrid organic-inorganic interfaces in polymer nanocomposites.

Azadeh Sheidaei's picture

Implementation of p-p Interactions in Molecular Dynamics Simulation

Dear All,

I want to simulate polymer system that have pi-pi interaction between

chains and reinforcements. I know there is no implemention of pi-pi

interaction in lammps.

So, Is there another method to consider pi-pi interaction in lammps? or

I can't simulate these system by lammps.



Research staff position in molecular dynamics modelling of lubricant films at Nanyang Technological University, Singapore

We are looking for a highly motivated candidate for the position of
Research Associate in atomistic/molecular dynamics modelling of
lubricant films.

The research project is computational based and will focus on the atomistic modelling of

  • Lubricant and diamond-like carbon used in hard disk drives

The successful candidate will be awarded with a competitive renumeration package based on his/her work experience.

  • The contract is tenable for one year in the first instance and is renewable subject to good progress.


Research Scientist at TU Bergakademie Freiberg

A research scientist position is available at TU Bergakademie Freiberg in the area of computational modeling of dislocation properties using either molecular dynamics, discrete dislocations or crystal plasticity. The research of the group focuses on dislocation properties at both the nanoscale and the microscale. The successful candidate should have a strong background in numerical modeling with demonstrated capability of innovative and independent research. Interested candidate should contact Sebastien Groh at:

Designing copper–zirconium based nanowires for improving yield strength and plasticity via configuring surface atoms

Following our previous work on Cu-Zr nanowire system, in this paper we have shown improvement in various thermo-mechanical properties of nanowire via manipulating the surface atoms. The paper titled "Designing copper–zirconium based nanowires for improving yield strength and plasticity via configuring surface atoms" by Vijay Kumar Sutrakarand D Roy Mahapatra has been published in Journal of Nanoparticle Research. The paper can be downloaded from
The Abstract of the paper is given below:

tadmor's picture

KIM seeking postdoc for NSF CI TraCS fellowship

Dear Colleague:

The Knowledgebase of Interatomic Models (KIM) project ( is seeking a postdoctoral candidate to sponsor for an NSF Fellowship for Transformative Computational Science using Cyber Infrastructure (CI TraCS). The successful candidate will work closely with the KIM PIs to develop a comprehensive and detailed CI TraCS proposal based on the needs and goals of the KIM project.

Applications are due by Monday, November 14, 2011.

For more information please see the attached announcement. Please feel free to distribute this announcement to anyone who may be interested.


Ellad Tadmor

Rouzbeh1's picture

PhD and Post-doctoral Associate Positions Available at Rice University

Ph.D and postdoctoral associate positions are available at Rice University in the broad area of atomistic, molecular and multiscale modeling of cement-based materials. The projects include carrying out bottom-up atomistic and microtexture predictive simulations. Computational techniques will be integrated to approaches from statistical mechanics and physical chemistry to provide quantitative predictions of properties of cementitious materials across different time- and length-scales. The research will be carried out at Rice University’s Laboratory for Multiscale
Materials Modeling.

Michael A. McCarthy's picture

Seeking Postdoctoral candidates for Science Foundation Ireland and EU Marie Curie funding schemes in Composites Modelling

I am seeking candidates in the field of Composites Modelling, interested in applying for any of the following schemes, which have closing dates in August 2011:

New International Master Program in Computational Materials Science


I am writing to inform you about a new master in Computational Materials Science offered at TU Bergakademie Freiberg, Germany. It is an international master program, and all the lectures will be given in English.

To enhance multidisciplinary research, the program is open to students from different background, mechanical engineering, solid state physics and materials science.


For further details, please visit the webpage  at 



Xiao Hu Liu's picture

Open Position: 2011 Summer Internship at IBM TJ Watson Research Center, Yorktown Heights, NY


We are looking for an intern to join us this summer at IBM TJ Watson Research Center. You can find the job description at the link below. Please send your resume to apply for it there. More specifically, a background in molecular dynamics is required, and an experience of running open source MD code on supercomputer is preferred. The job will be filled quickly, and you are advised to apply as soon as possible.

Michael A. McCarthy's picture

Seeking postdoctoral researcher - Molecular Dynamics of CNT-nanocomposites

The Irish Research Council ( has a funding scheme for postdoctoral researchers. I am seeking someone to submit an application to IRCSET to obtain funding to work within my group, in Modelling of CNT-based nanocomposites. The chances of success are high for candidates with a good research record. The deadline for applications is December 8th.

If you have experience in this area, and are available to start work as a postdoctoral researcher in Ireland in summer 2011, please send me a CV (

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