Benchmarks

• Alloy Metallurgy
  • Al-Zn-Cu-Mg Regression
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
• Biomolecules
  • Protein folding stability
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
• Bulk Crystals
  • Lattice constants
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
  • Elasticity
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
  • Phonons: Diamond
    • Summary
    • Metrics
    • Method
    • Benchmark speed
    • Data availability
  • Phonons: Ti64
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
  • High-Pressure Relaxation
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
  • Low-Dimensional Relaxation
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
  • Iron Properties
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
  • Phonons
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
  • Elemental TM Vacancy Formation Energies
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
• Conformers
  • ACONFL
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
  • Folmsbee
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
  • TorsionNet500
    • Summary
    • Metrics
    • Computational cost
    • Data availability
• Defects
  • Defectstab
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
  • Relastab
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
  • Split vacancy
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
• Electrolytes
  • SSE-MD
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
• f-block
  • Isomer complexes
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
  • Plutonium Dioxide
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
• Molecular Systems
  • GMTKN55
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
  • Wiggle150
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
  • BMIM Cl RDF
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
• Molecular Crystals
  • X23
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
  • DMC-ICE13
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
  • CPOSS209
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
• Molecular dynamics
  • Liquid densities
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
  • Polymer densities
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
  • Water density
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
  • Water ethanol density curves
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
  • Bond length distribution
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
  • Ring planarity
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
  • Stability
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
• Molecular Reactions
  • CRBH20
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
  • Tautomers
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
  • Grambow barrier heights
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
• NEBs
  • Li diffusion
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
  • Si defects
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
  • Oxygen adatom diffusion on 2D TMDs
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
  • OC20NEB
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
• Non Covalent Interactions
  • IONPI19
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
  • NCIA D1200
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
  • NCIA D442x10
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
  • NCIA HB375x10
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
  • NCIA IHB100x10
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
  • NCIA HB300SPXx10
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
  • NCIA SH250x10
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
  • NCIA R739x5
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
• Physicality
  • Locality
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
  • Extensivity
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
  • Diatomics
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
  • Oxidation States
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
  • Compression
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
  • Water Slab Dipoles
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
  • Water-Cl2 cluster relaxation
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
  • Jacobian Symmetry
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
  • Rotational Symmetry
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
  • Translational Symmetry
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
• Porous Materials
  • QMOF
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
• Supramolecular
  • LNCI16
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
  • S30L
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
  • PLF547
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
  • PLA15
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
• Surfaces
  • OC157
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
  • S24
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
  • CMRAds200
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
  • Elemental Slab Oxygen Adsorption
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
  • SBH17
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
  • Graphene Wetting Under Strain
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
  • Cleavage Energy
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
  • Metal Surface Reconstructions
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability
• Transition Metal Complexes
  • 3dTMV
    • Summary
    • Metrics
    • Benchmark speed
    • Data availability