Centurion Applications

Hawley MHD code simulation

An astronomical code used for simulating gas accretion disks.
Information and results of running the code on Centurion.


A mesoscale weather modelling code used for both research into weather prediction programs and for operational predictions for organizations such as the United States Air Force.
Results of running this application on Centurion.


Chemistry at Harvard Molecular Mechanics (CHARMM). A program for macromolecular dynamics and mechanics, designed to investigate the structure and dynamics of large molecules. The software in this particular application was developed by Charles Brooks at the Scripps Research Institute.
Results of running this application on Centurion.

Axially Symmetric Direct Simulation Monte Carlo code

Developed by G.A. Bird and modified for the Directed Vapor Deposition research at the University of Virginia's Intelligent Processing of Materials Laboratory.
Results of running this application on Centurion.

Ocean Benchmark: Shallow Water Ocean Simulator

Code provided by Northrop-Grumman(NAVO), contact: Steve Piacsek, NAVO
Results of running this application on Centurion.

Work in progress

  • Complib
    A comparison of protein DNA sequences, developed by William Pearson at the University of Virginia Biochemistry Department.

  • Amsterdam Density Functional (ADF)
    A Fortran program for calculations on polyatomic systems, used for the study of such diverse fields as molecular spectroscopy, organic and inorganic chemistry, crystallography and pharmacochemistry, developed by the Theoretical Chemistry Group at Vrije Universiteit, Amsterdam, The Netherlands.

  • Assisted Model Building with Energy Refinement (Amber)
    A suite of Fortran and C programs used for biomolecular simulation.

  • Gaussian98
    A connected system of programs for performing a variety of semi-empirical and ab initio molecular orbital (MO) calculations, developed by Gaussian, Inc.

  • Neural-network application

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