Computational Facilities

Simulated 3d smectic liquid crystal phase in a system of hard spheres with a soft repulsive step potential. Such isotropic 'hard core/soft shoulder' interactions produce a variety of 2d & 3d LC phases and unusual crystal structures such as the diamond lattice. These simulations were carried out using SMRC computational facilities.

Computing Hardware and Software

SMRC computing resources currently include a 40-processor 2.8 GHz Intel Xeon cluster and an 80-processor 2.2 GHz AMD Opteron cluster, both with 1 Gb/s network connectivity. Software available on these systems includes a variety of molecular modeling packages (Gromacs, LAMMPS, NAMD, DLPOLY, Amber) and software for ab initio electronic structure calculations (Turbomole), as well as software developed by SMRC researchers.

 

For more information about SMRC Computational Facilities, contact Matthew Glaser.

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