SLUSCHI-UP

SLUSCHI + Universal Machine-Learning Interatomic Potentials

Submit a crystal structure to estimate melting behavior using the SLUSCHI framework with universal machine-learning interatomic potentials (uMLIP). You may enter a Materials Project ID or paste POSCAR content directly.

Enter a Materials Project ID

Example: mp-21075 or 21075. If provided, this will be used instead of pasted POSCAR content.

Or paste POSCAR content (VASP 5 or later). Element symbols must be included in the POSCAR header.

POSCAR
1.0
   5.0901454116044738    0.0000000000000000    0.0000000000000003
  -0.0000000000000003    5.0901454116044738    0.0000000000000003
   0.0000000000000000    0.0000000000000000    5.0901454116044738
Zr O
4 8
direct
   0.0000000000000000    0.0000000000000000    0.0000000000000000 Zr4+
   0.0000000000000000    0.5000000000000000    0.5000000000000000 Zr4+
   0.5000000000000000    0.0000000000000000    0.5000000000000000 Zr4+
   0.5000000000000000    0.5000000000000000    0.0000000000000000 Zr4+
   0.7500000000000000    0.2500000000000000    0.7500000000000000 O2-
   0.7500000000000000    0.7500000000000000    0.7500000000000000 O2-
   0.7500000000000000    0.7500000000000000    0.2500000000000000 O2-
   0.7500000000000000    0.2500000000000000    0.2500000000000000 O2-
   0.2500000000000000    0.2500000000000000    0.2500000000000000 O2-
   0.2500000000000000    0.7500000000000000    0.2500000000000000 O2-
   0.2500000000000000    0.7500000000000000    0.7500000000000000 O2-
   0.2500000000000000    0.2500000000000000    0.7500000000000000 O2-

This POSCAR is used only when the Materials Project ID field is blank. If a Materials Project ID is entered, it overrides this POSCAR content.

Choose one universal Machine Learning Interatomic Potential

Allegro-OAM-L

mace-mpa-0-medium

DPA-3.2-5M-OMat24

We recommend Allegro for both speed and accuracy.

Email (Required for verification)(Required)

Avoid duplicate calculations. Before submitting a new SLUSCHI-UP job, please search the MeltBench benchmark table or download the MeltBench CSV dataset to check whether the material has already been studied. Reusing existing results helps conserve community GPU resources and reduces unnecessary duplicate calculations.

Not sure which uMLIP to choose? Visit MeltBench for performance comparisons.

Jobs are GPU-intensive and are processed in a shared queue. A typical job may take 12–24 hours. Email verification is required before your job enters the queue.

Already submitted a job? Check job status.

Cite this work:

SLUSCHI-UP: Q.-J. Hong, SLUSCHI-UP: A Web Infrastructure for SLUSCHI Melting-Temperature Calculations Using Universal Machine-Learning Interatomic Potentials, arXiv:2606.04973, 2026. Download
A. Campbell, L. Wang, and Q.-J. Hong, Accelerating melting temperature predictions by leveraging LASP machine learning potentials in the SLUSCHI package, Journal of the American Ceramic Society 109 (1), e70398, 2025. Download

SLUSCHI: Qi-Jun Hong and Axel van de Walle, A user guide for SLUSCHI: solid and liquid in ultra small coexistence with hovering interfaces, Calphad, 52, 88-97, 2016. Download.

Small-cell Coexistence: Q.-J. Hong and A. van de Walle, Solid-liquid coexistence in small systems: A statistical method to calculate melting temperatures, The Journal of Chemical Physics 139 (9), 094114, 2012. Download

This model is currently deployed at the Research Computing facilities at ASU.

Download SLUSCHI source code (DFT version with interface to VASP) from GitHub here.

Financial Support

The development of mds and diffusion in sluschi was supported by the DOE under program DE-SC0024724.

The development of asdf and csp in sluschi was supported by the DOD ARO under program W911NF-23-2-0145.

The development of the original sluschi-coexistence method was supported by the DOD ONR under program N00014-12-1-0196 and N00014-14-1-0055, under Axel van de Walle.

SLUSCHI-MAPP Prediction Modes

Mode	Speed	Accuracy	Method
Instant	Seconds	Moderate	MAPP GNN
Standard	~24 hr	High	SLUSCHI-UP + DFT correction
Benchmark	Days–weeks	Highest	Full DFT SLUSCHI