Scientific benchmark gallery

This gallery contains fixed-state validation studies and comparisons with published data. Run a page’s Python source to calculate its electronic and ionic states and generate the plots. No precomputed Otter NPZ is required. Pages containing MD require LAMMPS and MPI. Documentation builds display recorded figures and terminal output; they do not launch scientific calculations.

The scripts are already included in the complete source checkout. For setup and the Python, notebook and ZIP download options, see Reproducing examples and benchmarks.

These pages are separate from the capability-oriented example gallery. They test documented scientific configurations; they are not templates for silently changing a benchmark state.

Carbon structure factors: Otter PA-HNC and DFT-MD

Carbon structure factors: Otter PA-HNC and DFT-MD

Bethkenhagen et al. carbon-ionization comparison

Bethkenhagen et al. carbon-ionization comparison

CH₂: HNC and molecular dynamics

CH₂: HNC and molecular dynamics

Beryllium ionization: Döppner et al. (2023)

Beryllium ionization: Döppner et al. (2023)

Ion-structure literature library

Ion-structure literature library

Two-temperature aluminium: Johnson et al. (2025)

Two-temperature aluminium: Johnson et al. (2025)

Equilibrium aluminium structure factors: Schörner et al. (2022)

Equilibrium aluminium structure factors: Schörner et al. (2022)

Starrett et al. CH1.36 mixture pair distributions

Starrett et al. CH1.36 mixture pair distributions

Starrett–Saumon electronic levels and ionization

Starrett--Saumon electronic levels and ionization

Single-species Starrett–Saumon ion-structure benchmarks

Single-species Starrett--Saumon ion-structure benchmarks