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Nayan Naleyanda

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#graph neural networks Dataset Open access Sep 2026

Anorthite-NAD: Nonequilibrium Atomistic Dynamics under Controlled Deformation

Anorthite-NAD is a molecular-dynamics dataset for studying learned nonequilibrium atomistic dynamics under controlled deformation. It contains 36 independent LAMMPS trajectories and 18,000 graph-state transitions of crystalline anorthite (CaAl₂Si₂O₈) at 300 K, spanning isotropic and axis-specific deformation at final s...

Nayan Naleyanda · 0 citations
#graph neural networks Dataset Open access Sep 2026

Anorthite-NAD: Nonequilibrium Atomistic Dynamics under Controlled Deformation

Anorthite-NAD is a molecular-dynamics dataset for studying learned nonequilibrium atomistic dynamics under controlled deformation. It contains 36 independent LAMMPS trajectories and 18,000 graph-state transitions of crystalline anorthite (CaAl₂Si₂O₈) at 300 K, spanning isotropic and axis-specific deformation at final s...

Nayan Naleyanda · 0 citations

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