4 datasets found

Formats: JSON Tags: Molecular dynamics

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  • AIMD dataset for Hafnium dioxide

    The AIMD dataset generated from a melt-quench ab initio molecular dynamics (AIMD) protocol for Hafnium dioxide (HfO2)

  • 4-Body Motion Simulation Dataset

    The dataset used in the paper is a simulation of a system of 4-body motion governed by a Hamiltonian model. The dataset contains 100,000 sets of positions in three dimensional...

  • Shiba et al. dataset

    The dataset used in Shiba et al. 2022, Botan: Bond targeting network for prediction of slow glassy dynamics by machine learning relative motion.

  • Bapst et al. dataset

    The dataset built by Bapst et al. in It is obtained from molecular dynamics simulations of an 80:20 Kob-Andersen mixture of N = 4096 particles in a three-dimensional box with...
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