Research using calphy#

The following research works employed calphy:

Year

Material system

Calculation

Interatomic Potential

Publication

2026

AuCu

phase diagram

ACE

Menon et. al.

2026

Kr

free energies

two-body (Tadah!), MACE

Kirsz et. al.

2026

Sn

phase transition temperature

ACE

Šesták et. al.

2026

Si

phase diagram

Tersoff (electron-temperature dependent)

Klein et. al.

2026

Fe

free energies

EAM

Azócar Guzmán et. al.

2026

Ni, Al, NiAl, Ni\(_3\)Al

free energies, melting temperature

GRACE

Vishwakarma et. al.

2026

HfO\(_2\)

free energies

DeePMD

Hetti Kankanamalage et. al.

2025

Sn

phase diagram

MEAM

Truong et. al.

2025

SiC

phase diagram

tabGAP

Wu et. al.

2025

Cu, Si

melting temperature

EAM, Tersoff

Kümmel et. al.

2025

CdTe, Te

free energies

MACE

Mosquera-Lois et. al.

2025

Fe, H\(_2\)O

free energies

EAM, coarse-grained

Castellano et. al.

2025

MgAl, MgCa, AlCa

phase diagram

MTP

Poul et. al.

2024

Mo, Si, Mo\(_3\)Si, Mo\(_5\)Si\(_3\), MoSi\(_2\)

melting temperature

ACE

Lenchuk et. al.

2024

AlLi

phase diagram

EAM, HDNNP, ACE

Menon et. al.

2024

CuZr

phase diagram

ACE

Leimeroth et. al.

2024

SiO

phase diagram

ACE

Erhard et. al.

2023

Mg

phase diagram

ACE

Ibrahim et. al.

2022

ZnO

free energies

ML

Goniakowski et. al.

2021

Ti, Si

phase diagram

EAM, SW

Menon et. al.

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