Research using calphy#
The following research works employed calphy:
Year |
Material system |
Calculation |
Interatomic Potential |
Publication |
|---|---|---|---|---|
2026 |
AuCu |
phase diagram |
ACE |
|
2026 |
Kr |
free energies |
two-body (Tadah!), MACE |
|
2026 |
Sn |
phase transition temperature |
ACE |
|
2026 |
Si |
phase diagram |
Tersoff (electron-temperature dependent) |
|
2026 |
Fe |
free energies |
EAM |
|
2026 |
Ni, Al, NiAl, Ni\(_3\)Al |
free energies, melting temperature |
GRACE |
|
2026 |
HfO\(_2\) |
free energies |
DeePMD |
|
2025 |
Sn |
phase diagram |
MEAM |
|
2025 |
SiC |
phase diagram |
tabGAP |
|
2025 |
Cu, Si |
melting temperature |
EAM, Tersoff |
|
2025 |
CdTe, Te |
free energies |
MACE |
|
2025 |
Fe, H\(_2\)O |
free energies |
EAM, coarse-grained |
|
2025 |
MgAl, MgCa, AlCa |
phase diagram |
MTP |
|
2024 |
Mo, Si, Mo\(_3\)Si, Mo\(_5\)Si\(_3\), MoSi\(_2\) |
melting temperature |
ACE |
|
2024 |
AlLi |
phase diagram |
EAM, HDNNP, ACE |
|
2024 |
CuZr |
phase diagram |
ACE |
|
2024 |
SiO |
phase diagram |
ACE |
|
2023 |
Mg |
phase diagram |
ACE |
|
2022 |
ZnO |
free energies |
ML |
|
2021 |
Ti, Si |
phase diagram |
EAM, SW |
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