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        • Model for carbon material design
        • Model for 3D superconductor design
        • Model for perovskite material design
        • Index
        • Model for STEM 2D Image class
        • Index
        • Model for ALIGNN-FF energy
        • Model for ALIGNN-FF Forces
        • Model for Cu FF energy
        • Model for ALIGNN-FF energy
        • Model for Cu FF forces
        • Model for Cu FF stresses
        • Model for Ge FF energy
        • Model for Ge FF forces
        • Model for Ge FF stresses
        • Model for Li FF energy
        • Model for Li FF forces
        • Model for Li FF stresses
        • Model for Mo FF energy
        • Model for Mo FF forces
        • Model for Mo FF stresses
        • Model for Ni FF energy
        • Model for Ni FF forces
        • Model for Ni FF stresses
        • Model for Si FF energy
        • Model for Si FF forces
        • Model for Si FF stresses
        • Model for Cu FF forces
        • Model for Cu FF stresses
        • Model for Ge FF forces
        • Model for Ge FF stresses
        • Model for Li FF forces
        • Model for Li FF stresses
        • Model for Mo FF forces
        • Model for Mo FF stresses
        • Model for Ni FF forces
        • Model for Ni FF stresses
        • Model for Si FF forces
        • Model for Si FF stresses
        • Index
        • Model for magmom_oszicar
        • Model for mbj_bandgap
        • Model for n-powerfact
        • Model for optb88vdw_bandgap
        • Model for p-Seebeck
        • Model for slme
        • Model for spillage
        • Index
        • Model for AGRA OH dataset
        • Model for AGRA COOH dataset
        • Model for AGRA CO dataset
        • Model for AGRA OH dataset
        • Model for AGRA Oxygen dataset
        • Model for formation_energy_peratom
        • Model for Superconducting Tc of High Pressure Hydrides
        • Model for Superconducting Tc of High Pressure Hydrides
        • Model for avg_elec_mass
        • Model for avg_hole_mass
        • Model for bandgap
        • Model for bulk_modulus_kv
        • Model for lattice constant (a) of CHIPSFF dataset
        • Model for lattice constant (b) of CHIPSFF dataset
        • Model for lattice constant (c) of CHIPSFF dataset
        • Model for elastic tensor (C11) of CHIPSFF dataset
        • Model for elastic tensor (C44) of CHIPSFF dataset
        • Model for formation energy per atom of CHIPSFF dataset
        • Model for bulk modulus (Kv) of CHIPSFF dataset
        • Model for surface energy of CHIPSFF dataset
        • Model for vacancy formation energy of CHIPSFF dataset
        • Model for equilibrium volume of CHIPSFF dataset
        • Model for dfpt_piezo_max_dielectric
        • Model for dfpt_piezo_max_dij
        • Model for ehull
        • Model for encut
        • Model for epsx
        • Model for epsy
        • Model for epsz
        • Model for exfoliation_energy
        • Model for formation_energy_peratom
        • Model for kpoint_length_unit
        • Model for magmom_oszicar
        • Model for max_efg
        • Model for mbj_bandgap
        • Model for mepsx
        • Model for mepsy
        • Model for mepsz
        • Model for n-Seebeck
        • Model for n-powerfact
        • Model for optb88vdw_bandgap
        • Model for optb88vdw_total_energy
        • Model for heat capacity
        • Model for shear_modulus_gv
        • Model for slme
        • Model for spillage
        • Model for halide perovskite HSE decomposition energy
        • Model for halide perovskite HSE bandgap
        • Model for halide perovskite PBE decomposition energy
        • Model for halide perovskite PBE bandgap
        • Model for halide perovskite Refractive index
        • Model for lcd
        • Model for max_co2_adsp
        • Model for min_co2_adsp
        • Model for pld
        • Model for surface_area_m2cm3
        • Model for surface_area_m2g
        • Model for void_fraction
        • Model for magnetic moment of 2D materials using chemical formula
        • Model for e_form
        • Model for gappbe
        • Model for 2D MXene formation energy
        • Model for open catalyst project 100k dataset
        • Model for open catalyst project 10k dataset
        • Model for open catalyst project all is2re dataset
        • Model for energy_per_atom
        • Model for f_enp
        • Model for qe_tb_final_energy
        • Model for indir_gap
        • Model for Cv
        • Model for G
        • Model for H
        • Model for HOMO
        • Model for LUMO
        • Model for R2
        • Model for U
        • Model for U0
        • Model for ZPVE
        • Model for alpha
        • Model for gap
        • Model for mu
        • Model for bandgap
        • Model for Band_gap_HSE
        • Model for formula_energy in ssub database
        • Model for superconducting Tc using chemical formula
        • Model for TinNet Nitrogen dataset
        • Model for TinNet Oxygen dataset
        • Model for TinNet Oxygen dataset
        • Model for Vacancy formation energy for 2D
        • Model for Vacancy formation energy
        • Model for Vacancy formation energy for elements
        • Model for Vacancy formation energy for oxides
        • Model for Vacancy formation energy with defined train-test splits for oxides
        • Model for Vacancy formation energy for oxides
        • Index
        • Model for PhononDos
        • Index
        • Model for arXiv text class
        • Model for MMLU quiz
        • Model for arXiv text class
        • Index
        • Model for arXiv text generation
        • Index
        • Model for arXiv text summarization
        • Index
        • Model for arXiv text class
      • Index
        • Index
        • Model for Tc_supercon_JVASP_646_NbS2
        • Model for Tc_supercon_JVASP_655_NbSe2
        • Model for Tc_supercon
        • dft 3d Tc supercon JVASP 1014 Ta
        • Model for Tc_supercon_JVASP_1151_MgB2
        • Model for Tc_supercon_JVASP_11981_Nb3Al
        • Model for Tc_supercon_JVASP_14492_NbO
        • Model for Tc_supercon_JVASP_14837_V
        • Model for Tc_supercon_JVASP_14960_V3Si
        • Model for Tc_supercon_JVASP_15938_Nb3Si
        • Model for Tc_supercon_JVASP_19679_ZrN
        • Model for Tc_supercon_JVASP_19889_NbC
        • Model for Tc_supercon_JVASP_20620_YB6
        • Model for Tc_supercon_JVASP_36335_NbN
        • Model for Tc_supercon_JVASP_816_Al
        • Model for Tc_supercon_JVASP_934_Nb
        • Model for Tc_supercon_JVASP_961_Pb
        • Model for bandgap
        • Model for bandgap_JVASP_1002_Si
        • Model for bandgap_JVASP_104_TiO2
        • Model for bandgap_JVASP_1130_LiF
        • Model for bandgap_JVASP_113_ZrO2
        • Model for bandgap_JVASP_1145_KCl
        • Model for bandgap_JVASP_116_MgO
        • Model for bandgap_JVASP_1174_GaAs
        • Model for bandgap_JVASP_1180_InN
        • Model for bandgap_JVASP_1183_InP
        • Model for bandgap_JVASP_1189_InSb
        • Model for bandgap_JVASP_1192_CdSe
        • Model for bandgap_JVASP_1198_ZnTe
        • Model for bandgap_JVASP_1201_CuCl
        • Model for bandgap_JVASP_1216_Cu2O
        • Model for bandgap_JVASP_1267_BaTe
        • Model for bandgap_JVASP_1294_BaSe
        • Model for bandgap_JVASP_1300_MgS
        • Model for bandgap_JVASP_1312_BP
        • Model for bandgap_JVASP_1315_BaS
        • Model for bandgap_JVASP_1327_AlP
        • Model for bandgap_JVASP_1393_GaP
        • Model for bandgap_JVASP_1405_CaO
        • Model for bandgap_JVASP_1408_AlSb
        • Model for bandgap_JVASP_1453_AlCuO2
        • Model for bandgap_JVASP_1702_ZnS
        • Model for bandgap_JVASP_17_BN
        • Model for bandgap_JVASP_1954_AgCl
        • Model for bandgap_JVASP_23_CdTe
        • Model for bandgap_JVASP_299_SnSe
        • Model for bandgap_JVASP_30_GaN
        • Model for bandgap_JVASP_32_Al2O3
        • Model for bandgap_JVASP_39_AlN
        • Model for bandgap_JVASP_54_MoS2
        • dft 3d bandgap JVASP 57 MoSe2
        • Model for bandgap_JVASP_5_TiO2
        • Model for bandgap_JVASP_72_WS2
        • Model for bandgap_JVASP_75_WSe2
        • Model for bandgap_JVASP_7630_BAs
        • Model for bandgap_JVASP_7678_MgSe
        • Model for bandgap_JVASP_7762_MgTe
        • Model for bandgap_JVASP_7844_AlN
        • Model for bandgap_JVASP_7860_SnTe
        • Model for bandgap_JVASP_8003_CdS
        • Model for bandgap_JVASP_8082_SrTiO3
        • Model for bandgap_JVASP_8158_SiC
        • Model for bandgap_JVASP_8169_GaN
        • Model for bandgap_JVASP_8566_AgI
        • Model for bandgap_JVASP_8583_AgBr
        • Model for bandgap_JVASP_890_Ge
        • Model for bandgap_JVASP_9147_HfO2
        • Model for bandgap_JVASP_91_C
        • Model for bandgap_JVASP_95_CdS
        • Model for bandgap_JVASP_96_ZnSe
        • Model for bandgap_JVASP_97_InAs
        • Model for bulk modulus
        • Model for bulk_modulus_JVASP_1002_Si
        • Model for bulk_modulus_JVASP_1130_LiF
        • Model for bulk_modulus_JVASP_113_ZrO2
        • Model for bulk_modulus_JVASP_116_MgO
        • Model for bulk_modulus_JVASP_1174_GaAs
        • Model for bulk_modulus_JVASP_1306_NiO
        • Model for bulk_modulus_JVASP_1312_BP
        • Model for bulk_modulus_JVASP_1390_SrO
        • Model for bulk_modulus_JVASP_1405_CaO
        • Model for bulk_modulus_JVASP_14590_Hf
        • Model for bulk_modulus_JVASP_14604_Ba
        • Model for bulk_modulus_JVASP_14606_Ag
        • Model for bulk_modulus_JVASP_14612_Zr
        • Model for bulk_modulus_JVASP_14813_Rb
        • Model for bulk_modulus_JVASP_182_SiC
        • Model for bulk_modulus_JVASP_20290_Sc2O3
        • Model for bulk_modulus_JVASP_20326_NaF
        • Model for bulk_modulus_JVASP_20793_Y2O3
        • Model for bulk_modulus_JVASP_21208_Sr
        • Model for bulk_modulus_JVASP_23862_NaCl
        • Model for bulk_modulus_JVASP_23864_LiCl
        • Model for bulk_modulus_JVASP_25065_Li
        • Model for bulk_modulus_JVASP_25114_K
        • Model for bulk_modulus_JVASP_25180_Ca
        • Model for bulk_modulus_JVASP_25213_Kr
        • Model for bulk_modulus_JVASP_25248_Xe
        • Model for bulk_modulus_JVASP_34249_HfO2
        • Model for bulk_modulus_JVASP_350_ZrO2
        • Model for bulk_modulus_JVASP_7809_ZrO2
        • Model for bulk_modulus_JVASP_7870_MnO
        • Model for bulk_modulus_JVASP_7871_NiO
        • Model for bulk_modulus_JVASP_79204_BN
        • Model for bulk_modulus_JVASP_816_Al
        • Model for bulk_modulus_JVASP_819_Ar
        • Model for bulk_modulus_JVASP_834_Be
        • Model for bulk_modulus_JVASP_867_Cu
        • Model for bulk_modulus_JVASP_87128_CoO
        • Model for bulk_modulus_JVASP_890_Ge
        • Model for bulk_modulus_JVASP_9147_HfO2
        • Model for bulk_modulus_JVASP_91_C
        • Model for bulk_modulus_JVASP_92796_La2O3
        • Model for bulk_modulus_JVASP_963_Pd
        • Model for bulk_modulus_JVASP_984_Rh
        • Model for cubic system lattice constants
        • Model for epsilon_x
        • Model for epsx_JVASP_1312_BP
        • Model for epsx_JVASP_1327_AlP
        • Model for epsx_JVASP_1393_GaP
        • Model for epsx_JVASP_1408_AlSb
        • Model for epsx_JVASP_1702_ZnS
        • Model for epsx_JVASP_17_BN
        • Model for epsx_JVASP_182_SiC
        • Model for epsx_JVASP_2355_ZnGeP2
        • Model for epsx_JVASP_2376_ZnSiP2
        • Model for epsx_JVASP_23_CdTe
        • Model for epsx_JVASP_54_MoS2
        • Model for epsx_JVASP_57_MoSe2
        • Model for epsx_JVASP_60_Te2Mo
        • Model for epsx_JVASP_72_WS2
        • Model for epsx_JVASP_75_WSe2
        • Model for epsx_JVASP_8041_HgTe
        • Model for Max Piezoelectric coeff
        • Model for max_piezoelec_JVASP_110_BaTiO3
        • Model for max_piezoelec_JVASP_1180_InN
        • Model for max_piezoelec_JVASP_1195_ZnO
        • Model for max_piezoelec_JVASP_1240_LiNbO3
        • Model for max_piezoelec_JVASP_1327_AlP
        • Model for max_piezoelec_JVASP_1372_AlAs
        • Model for max_piezoelec_JVASP_1408_AlSb
        • Model for max_piezoelec_JVASP_20778_BeO
        • Model for max_piezoelec_JVASP_30_GaN
        • Model for max_piezoelec_JVASP_3450_TiPbO3
        • Model for max_piezoelec_JVASP_35711_GaSb
        • Model for max_piezoelec_JVASP_39_AlN
        • Model for max_piezoelec_JVASP_41_SiO2
        • Model for max_piezoelec_JVASP_57695_BN
        • Model for max_piezoelec_JVASP_7648_ZnS
        • Model for max_piezoelec_JVASP_8047_ZnSe
        • Model for SLME
        • Model for slme_JVASP_1174_GaAs
        • Model for slme_JVASP_266_InP
        • Model for slme_JVASP_7112_H6PbCI3N
        • Model for slme_JVASP_7757_CdTe
        • Model for slme_JVASP_8554_InCuSe2
        • Comparison Vacancy formation energy with ES methods
        • Index
        • Model for dielectric_function
        • Model for dielectric_function_JVASP_1002_Si
        • Model for dielectric_function_JVASP_1174_GaAs
        • Model for dielectric_function_JVASP_266_InP
        • Model for dielectric_function_JVASP_890_Ge
      • Index
        • Index
        • Superconducting transition temperature data for MgB2
        • Superconducting transition temperature data for ZrN
        • Superconducting transition temperature data for Mo2C
        • Superconducting transition temperature data for NbS2
        • Superconducting transition temperature data for NbSe2
        • Superconducting transition temperature data for NbN
        • Superconducting transition temperature data for FeSe
        • Index
        • XRD for MgB2
        • Force vs elongation data for Kevlar129
        • CO2 adsorption for ZSM-5
      • Index
        • Index
        • Model for deltaF_biobench
        • Model for left handed_population_biobench
        • Model for right handed_population_biobench
        • Model for bulk_modulus_JVASP_1002_Si
        • Model for bulk_modulus_JVASP_816_Al
        • Model for bulk_modulus_JVASP_867_Cu
        • Model for 2D LJ liquid viscosity
      • Index
        • Index
        • Model for Hamiltonian
      • CHIPS FF
      • CatalysisMat
      • Detailed Guide
      • Short Guide to JARVIS-Leaderboard

    Index

    Single property FF property prediction

    • Number of contributions: 282
    CategorySub-categoryBenchmarkMethodMetricScoreTeamDatasetSize
    FFSinglePropertyPredictiondft_3d_bulk_modulus_JVASP_1002_Si2005--Erhart-P--Si-C-I--LAMMPS--ipr1MAE0.0071IPRdft_3d1
    FFSinglePropertyPredictiondft_3d_bulk_modulus_JVASP_816_Al2017--Kim-J-S--Pt-Al--LAMMPS--ipr1MAE0.0114IPRdft_3d1
    FFSinglePropertyPredictiondft_3d_bulk_modulus_JVASP_867_Cu2009--Kang-K-H--Cu-Zr-Ag--LAMMPS--ipr1MAE0.0129IPRdft_3d1
    FFSinglePropertyPredictionlj_2d_liquid_viscositylammps_2d_liquid_einsteinMAE0.0244LAMMPSlj_2d_liquid1
    FFSinglePropertyPredictionbiobench_deltaFtiwarylabMAE0.9477tiwarylabbiobench3
    FFSinglePropertyPredictionbiobench_right_handed_populationtiwarylabMAE0.0307tiwarylabbiobench3
    FFSinglePropertyPredictionbiobench_left_handed_populationtiwarylabMAE0.1087tiwarylabbiobench3
    NIST Copyright, Kamal Choudhary