The archetype-genome exemplar in molecular dynamics and continuum mechanics
M. Steven Greene, Ying Li, Wei Chen, Wing Kam Liu
molecular dynamics
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.
Visual Molecular Dynamics (VMD) package can also be used to obtain coordinates of graphene.
Influence of temperature and free edges on the mechanical properties of graphene.
PhD position available at the University of Groningen, The Netherlands
A four-year computational Ph.D. position on "MD modelling of unfolded proteins in aging nuclear pores" is available at the University of Groningen, The Netherlands.
Postdoctoral Position Available at Northwestern University
A postdoctoral associate position is available immediately at the Computational Nanodynamics Group at Northwestern University. This research project focuses broadly on the atomistic and meso-scale modeling of biomolecular materials and their interfaces with engineered polymers. Nanostructural predictions, self-assembly studies, and simulations of mechanofunctional behavior constitute the scope of the project.
2 PhD Positions in Computational Materials Science
The Atomistic Materials Modeling group of Prof. Erik Bitzek is
inviting applications for doctoral students in the area of Computational
Materials Science to join the Institute for General Materials Properties within
the Department of Materials Science of the Friedrich-Alexander-Universität
Erlangen-Nürnberg in Erlangen, Germany.
Research topics
include: