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  1. hdf5 test data

    01 Jul 2016 | Datasets | Contributor(s): Ran Sun

    A set of data in hdf5 format for testing

  2. Data for the paper "Identifying Melting Points of Metals from Classical Molecular Dynamics with Unsupervised Machine Learning Methods"

    19 Mar 2018 | Datasets | Contributor(s): Nicholas Walker, Ka-Ming Tam, Brian Novak, Mark Jarrell

    Molecular Dynamics Simulations Data for 108 Al atoms.Data used for extracting melting temperature by Machine Learning.

  3. Multi-variables parallel tempering Monte Carlo simulations for the 12-6 potential

    23 Mar 2018 | Datasets | Contributor(s): Ka-Ming Tam

    The attached file contains the snapshots of the Multi-variables parallel tempering Monte Carlo simulations for the 12-6 potential.Pressure P=5 for a range of temperatures of 256 particles.

  4. Ab initio Molecular Dynamics of Aluminium for force matching potential fitting

    18 Apr 2018 | Datasets | Contributor(s): Ka-Ming Tam

    ab initio Molecular Dynamics of Aluminium for force matching potential fit.Snapshots of Aluminium atom from ab initio Molecular Dynamics (Car-Parrinello).Positions, Velocities, and Forces as a function of atom labels.

  5. Monte Carlo with Parallel Tempering in the P-T plane of Lennard Jones 6-12

    02 May 2018 | Datasets | Contributor(s): Ka-Ming Tam

    Monte Carlo data from parallel tempering in the P-T plane, NPT ensemble, 6-12 Lennard Jones potential

  6. Density of State of 6-12 potential from multiple walkers Wang Landau Monte Carlo

    08 May 2018 | Datasets | Contributor(s): Ka-Ming Tam

    Density of state of 6-12 potential with 108 particles and cutoff=2.5 for density=1 (Lennard-Jones units).Wang Landau Monte Carlo with 20 random walkers.

  7. First-pass results of pool boiling testing of microformed 1D and 2D microfin arrays in Novec 7100

    19 Jun 2018 | Datasets | Contributor(s): Arden Moore