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Post-Doc position in nanoscale plasticity and molecular dynamics simulations

Job Summary: The successful candidate will join an internationally collaboration team of scientists in the New Technologies – Research Centre at University of West Bohemia, Czech Republic. He or she will contribute to ongoing research projects and have the opportunity to propose, design, and carry out new research efforts within the broader scope of the group's research topics, which focuses on computer simulations of metal plasticity at nanoscale and piezo-electric responses of ceramics. Experience with classical molecular dynamic techniques is particularly valuable.

Kmomeni's picture

PhD Position in Multiscale Modeling of Hierarchical Materials

A PhD position is open for summer or fall 2017 in Advanced Hierarchical Materials by Design Lab at Louisiana Tech University on multiscale modeling of hierarchical materials with an emphasis on nanocomposites. The candidates must have earned a M.Sc. degree in Mechanical Engineering or related fields and have a solid background in theoretical and computational mechanics, specifically continuum mechanics and finite element modeling, and need to have the knowledge of writing computer code (preferably using C/C++).

Kmomeni's picture

PhD Position in Multiscale Modeling of Hierarchical Materials

A PhD position is open for summer or fall 2017 in Advanced Hierarchical Materials by Design Lab at Louisiana Tech University on multiscale modeling of hierarchical materials with an emphasis on nanocomposites. The candidates must have earned a M.Sc. degree in Mechanical Engineering or related fields and have a solid background in theoretical and computational mechanics, specifically continuum mechanics and finite element modeling, and need to have the knowledge of w.riting computer code (preferably using C/C++).

Antonino Favata's picture

An analytical benchmark for MD codes: testing and correcting LAMMPS

In the attached paper, recently appeared on Computer Physics Communications, we have proposed an analytical benchmark and a simple consistent Mathematica program for graphene and carbon nanotubes, that may serve to test any molecular dynamics code implemented with REBO potentials. By exploiting the benchmark, we checked results produced by LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator) when adopting the second generation Brenner potential, we made evident that this code in its current implementation produces results which are offset from those of the benchmark by a significant amount, and provided evidence of the reason.

Jingjie Yeo's picture

Effects of Nanoporosity on the Mechanical Properties and Applications of Aerogels in Composite Structures

Newly published book chapter - http://link.springer.com/chapter/10.1007/978-3-319-31662-8_4 Aerogels are ultralight solids with nanoporous structure and are one of the world’s lightest materials available in the market. It is a dry gel, principally made up of 99.8 % of air and weighing just around three times that of air. The first aerogels were realized in 1931, when Kistler (J Phys Chem 36:52–64, 1932) attempted to remove liquid from a wet gel.

Jingjie Yeo's picture

Effects of Nanoporosity on the Mechanical Properties and Applications of Aerogels in Composite Structures

Newly published book chapter - http://link.springer.com/chapter/10.1007/978-3-319-31662-8_4 Aerogels are ultralight solids with nanoporous structure and are one of the world’s lightest materials available in the market. It is a dry gel, principally made up of 99.8 % of air and weighing just around three times that of air. The first aerogels were realized in 1931, when Kistler (J Phys Chem 36:52–64, 1932) attempted to remove liquid from a wet gel.

Calculation of Elastic Modulus of Graphene in LAMMPS

Choose a channel featured in the header of iMechanica: 

 

Hello everyone, I want to calculate elastic constants (C11, C22, C12, and C66) for a single layer graphene sheet by MD simulation in LAMMPS. I am using the following equation:

 

E = (C11*C22-C12*C21)/C22 and poisson ratio = C12/C22 from this paper:

 http://www.sciencedirect.com/science/article/pii/S0261306909003082

Getting elastic constants using LAMMPS .

Choose a channel featured in the header of iMechanica: 

Hello everyone , 

LAMMPS suggests a script to calculate C44 , C11 & C12 .The question is : How to calculate the others for a nanomaterial ? Thanks in advance ! 

Jingjie Yeo's picture

ICCM 2015: MS-049 Computational Modelling of Biological and Biochemical Systems

The 6th International Conference on Computational Methods (ICCM2015) is slated to held in Auckland, New Zealand, on the 14th of July, 2015. It is my greatest pleasure to invite interested participants to submit their abstracts for presentation at a mini-symposium which I am organizing, titled:

MS-049 Computational Modelling of Biological and Biochemical Systems

 

For further information, please visit the official websites:

http://www.sci-en-tech.com/ICCM/index.php/ICCM2015/2015

Dibakar Datta's picture

FREE Registration : School on Molecular Dynamics for Biomolecules and Nanomaterials

 

Dr. Axel Kohlmeyer , one of the LAMMPS code developers, is organizing FREE School on Molecular Dynamics for Biomolecules and Nanomaterials at Temple University, Philadelphia (August 18th - 22nd, 2014)

 Detail Schedule is Available Here 

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

Running MD simulations with LAMMPS

In appendix A of my PhD thesis, I share a MATLAB code to get coordinates of carbon atoms in a graphene sheet. The code also generates the data file required for LAMMPS. In addition, I included a sample input and the corresponding output files from LAMMPS. I hope this will be useful for those who would like to learn MD simulations.

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
research.

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.

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