Requests for Potentials

This is a list of requests that we've recieved for new materials and systems to add to the repository. We ourselves (usually) do not develop potentials, but interact with researchers who do. This list is meant as a tool for those developers to see what type of systems are being requested, and to submit associated potentials.

If our website is missing what you are looking for, send us an email and we'll post a request. NOTE: we will not send files by email; all potentials we have are posted on the repository. We can post requests both for general materials and specific known potential models. If you are looking for potentials for a general system that we do not have any listings for, we ask that you also check the list of other potential/force-field repositories on the Resources page, and perform a web search for papers reporting new potentials. If you know of existing potential models that we do not have, please send us the reference information and we'll post both the request and try to ask the developers if they are willing to share the potential files.

W-Co-C (2024-03-21)
W-S for WS2 films (2024-03-21)
Pt-C-H-O-N for platinum-gas interactions (2023-12-21)
W-C-B (2023-10-23)
KNbO3 and RbNbO3 (2023-08-24)
Pt-Ni-Co-Al-O (2023-08-24)
W-Cu (2023-08-24)
Cu-Ni-Zr (2023-05-10)
V-W for modeling large scale metal-metal diffusion and ballistic radiation damage (2022-11-22)
Co-Ru (2022-11-01)
Cu-Zr-Ti-Al-Ni and Cu-Zr-Ti-Be-Ni (2022-06-08)
Fe-Si-B-C (2022-05-29)
Y2Zr2O7 (2022-05-28)
Si-H-F, Si-H-Cl, Si-H-Br, Si-H-I and Si-H-At Tersoff or Stillinger-Weber preffered (2022-04-06)
O-H for metal oxide reduction studies (2022-03-30)
Ag-Cu-Sn-Ni for mechanical properties and melting studies (2022-03-01)
Cu-Cr-Se (2021-10-14)
KTaO3 and KNbO3 (2021-10-13)
V-C for vanadium carbide (2021-03-10)
Mg-Si Buckingham potential (2021-03-04)
U-Mo-Kr (2021-01-25)
Bi (2020-12-30)
Al-N for aluminum nitride (2020-12-28)
W-Ta-V-Cr-Ti for high-entropy alloys (2020-12-17)
Si-Sn alloys for cooling investigations (2020-12-14)
Ti-F and Ti-Cl reactive potentials (2020-02-27)
Mg-Cu (2020-01-02)
Fe-Ni by R. Meyer and P. Entel [Phys. Rev. B 57(9)(1998)5140]. (2019-12-18)
Mg-Si and Mg-O (2019-12-15)
HfO₂ (2019-12-07)
W-C for tungsten-carbide alloys (2019-11-20)
Cr-N for 2D CrN (2019-09-22)
Zr-C thin films (2019-07-19)
In-Sb-Al and In-As-Al (2019-07-11)
Cu₂CaSnS₄ (2019-06-28)
C-Co, C-Mg, C-Zn and Zn-Mg for diamond cutting simulations (2019-06-04)
Ti-Al-V for Ti-6Al-4V (2019-05-13)
P-P, Pd-P, Ni-P, Cu-P and C-P (2019-02-25)
Zr-Fe (2018-11-22)
Mg-Sc (2018-11-20)
V-Ti (2018-11-18)
Fe-O for FeO, Fe₃O₄, and Fe₂O₃ (2018-11-15)
(SrNa)SiO₃ Buckingham format (2018-09-18)
Al-O metal and oxide (2018-08-13)
Zn MEAM format (2018-07-18)
Cr for radiation damage (2018-06-12)
W-Cu (2018-06-01)
Nb-O metal and oxide (2018-04-24)
Nb-C 2NN-MEAM format (2018-03-26)
C-S, C-Se and C-Te (2018-02-02)
Si-He for ion sputtering (2017-12-13)
MgO (2017-12-03)
Si-Ga-N SiN-GaN systems (2017-11-04)
Fe-He and Fe-H (2017-10-11)
Ti-Mo-S Ti-MoS₂ interaction (2017-09-28)
P (2017-09-05)
Zn-O metal and oxide (2017-08-27)
Cd-Te-Sn for Sn on CdTe substrate (2017-08-10)
CaF₂ (2017-06-08)
Cu-W (2017-06-07)
C and C-F for nanotubes (doped and pure) and graphene (2017-05-03)
Fe-H for H diffusion in bcc iron (2017-04-17)
PbN₆ (2017-04-16)
Si-Ge for thermal conductivity of superlattice (2017-04-12)
Pt-Ni (2017-04-11)
Fe-C by Ruda, Farkas and Garcia (2009) (2017-04-05)
B₂O₃ (2017-03-30)
Zr-O-H and Zr-H (2017-03-04)
C-Se (2017-02-26)
Ni-Mo and Ni-Yb (2017-02-19)
Cu-Cr (2016-12-12)
Fe-Cr-C (2016-11-28)
Fe-V-C-N 2NN-MEAM-fs format (2016-11-27)
Mo-Ag (2016-11-15)
Cu-W (2016-11-09)
W-C for mechanical sliding on graphite (2016-11-02)
Cu-S for sulfur segrigation at ambient and intermediate temperatures (2016-10-31)
FeMo₂B₂ (2016-10-19)
Ga-Si, Ga-N and Si-N (2016-09-26)
Al-B₄C metal/ceramic system in LAMMPS (2016-08-30)
Fe-Pt and Co-Pt (2016-08-30)
Cr-O (2016-08-23)
CaF₂ (2016-08-15)
Ni-Cr, Ag-Ge and Ag-Si (2016-08-08)
Co-O and Fe-O (2016-08-04)
Pt-Pd (2016-07-18)
Cu-Nb compatible with LAMMPS (2016-05-11)
In compatible with LAMMPS (2016-05-10)
S compatible with LAMMPS (2016-04-12)
Al₂O₃ and SiO₂ (2016-04-09)
Fe analytic bond order potential format (2016-04-04)
AgI, KI and NH₄I (2016-01-31)
Sn β-Sn (2015-12-25)
FeSiB system (2015-10-25)
CaCO₃ Arganite (2015-09-26)
Pd-Ni amorphous (2015-09-03)
Al-Si, Al-N and Si-N compatible with LAMMPS (2015-03-24)
Al₄C₃ / Mg (2014-12-31)
304L stainless steel (2014-12-31)
Ir (2014-12-31)
SiC (2014-12-31)
Al-Cu ADP format (2014-12-30)
Ni-Ti and Ni-Ti-M for structural applications (2014-12-30)
Ge₂Sb₂Te₅ for phase transition studies (2014-11-12)
Fe-B and Fe-Zr-B for metallic glass simulations (2014-07-14)
ZnO and ZnS (2014-06-30)
C graphene (2014-05-09)
Fe-Ni-Cr (2014-04-09)
Li-Si, Li-Sn, Na-Sn and Li-C (2014-04-09)
Nb-Ti-Al (2014-04-09)
Gd-Fe amorphous alloys (2014-03-31)
Ag-Cu-Sn for thermal properties and melting (2014-03-05)
Ni-P-Cu amorphous Ni-P on crystalline Cu (2014-03-05)
Mg-O and Ti-N interfaces to study thermal properties (2014-02-04)
CeO₂ to study structure (2014-02-03)
TiH₂ and MgH₂ especially reactive potentials (2014-02-01)
Fe-La and Fe-Ce and other rare earth alloys (2014-01-14)
Al₂O₃ for bulk and nanowire thermal and mechanical properties (2013-11-26)
Al-Cu-Mg (2013-11-23)
Metals and oxides (e.g. for surfaces) (2010-09-01)
Metal-polymer for interfaces between coatings and substrates (2010-08-01)
Models appropriate for multiple material types (e.g. metal-ceramic or metal-polymer) (2010-07-01)
Metal-water (liquid and ice) (2010-06-01)
MoS₂ (2010-05-01)
Hg liquid (2010-04-01)
ZnO (2010-03-01)
Mn-Si alloys for structural and transportation applications (2010-02-01)
Co-Ni alloys for structural applications (2010-01-01)