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Selvauma/nvo-deepmd
nvo-deepmd is a machine learning model from Selvauma. Use it for the machine learning task on the model card, and read the license before you ship it in a product. The card lists the license as cc-by-4.0.
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Updated Sep 11, 2026
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.pb16.5 MB · 98%
From the Hugging Face model README

DeepMD-kit potentials covering Na₃V₂O₅ (NVO) cathode chemistry and
related Sn-based Na-ion anode / hard-carbon interface systems (NVO_Sn,
C_Sn particle and multilayer variants) — a broader Na-ion electrode-material
survey than a single fixed composition.
| System | D (cm²/s) | T |
|---|---|---|
| nvo_particle | 9.21×10⁻¹¹ | 300K |
| nvo_particle | 1.18×10⁻¹⁰ | 360K |
| nvo_particle | 1.26×10⁻¹⁰ | 440K |
| nvo_sn_p1 | 8.54×10⁻¹¹ | 300K |
| nvo_sn_p1 | 1.13×10⁻¹⁰ | 360K |
AIMD reference: D = 1.1×10⁻¹⁰ cm²/s, Eₐ = 0.27 eV. Mechanical: E = 120 GPa, ν = 0.25.
| File | RMSE energy (eV/atom) | RMSE force (eV/Å) | Training steps | Size |
|---|---|---|---|---|
model/nvo_sn_primary.pb | 0.0135 | 0.114 | 4,951,300 | 9.3 MB |
model/nvo_sn_variant2.pb | 0.0133 | 0.122 | 1,000,000 | 7.2 MB |
RMSE values are validation-set (held-out) energy/force error, read directly from each run's DeepMD-kit lcurve.out at its final training step — not re-derived or estimated.

2 of 6 potentials spanning particle-size and phase variants (nvo_particle, nvo_sn phase_1/phase_3, Sn bulk/particle configurations), selected by lowest validation force RMSE; numerous intermediate/scale-study copies exist in the source tree and are not included here.
AIMD (VASP, PBE) → DeepMD-kit train/freeze/compress. Produced by HPCA (github.com/selvachandrasekaranselvaraj/hpca).
Selva Chandrasekaran Selvaraj, University of Illinois Chicago.