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  • Jain Lab Media

    Media resources from the lab of Prashant Jain

  • DNA Visualization

    These DNA molecular visualizations were created for the multifaceted 'DNA' project, celebrating the 50th anniversary in 2003 of the discovery of the double helix.

  • Stretching and moving DNA with Heat

    A paper of ACS Nano describing the controlled motion of DNA with heat

  • Recent Breakthrough Science

    A service of the American Chemical Soceity describing recent breakthroughs related to chemical sciences

  • Introduction to Molecular Workbench Software

    These DNA molecular visualizations were created for the multifaceted 'DNA' project, celebrating the 50th anniversary in 2003 of the discovery of the double helix.

  • Multiscale code for Hybrid Simulations

    This work describes one implementation of multi-scale computations using the Atomistic Simulation Environment (ASE). This implementation can mix classical codes like LAMMPS and the Density Functional Theory-based GPAW.

  • Scalable Parallel LAMMPS Simulations

    This paper discusses recent efforts to implement the MS-EVB model in the scalable LAMMPS MD code, and to further improve parallel scaling by implementing MP parallelization algorithms in LAMMPS.