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Tags: AIMD

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  1. AIMD simulation of Ti

    09 Oct 2018 | Datasets | Contributor(s): Nicholas Walker

    Snapshots and energy of AIMD simulation of Ti at T=2000K, P=0

    https://cimmhub.laepscor.org/resources/448.html

  2. 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...

    https://cimmhub.laepscor.org/resources/414.html