SLUSCHI API

SLUSCHI Online Analysis Portal

Provide a public link to your molecular dynamics output files to compute materials properties using the SLUSCHI framework. SLUSCHI automatically retrieves your molecular dynamics output files, runs validated analysis workflows (diffusion, entropy, bond valence), and returns plots and numerical results directly in your browser, with no local installation required.

Try https://drive.google.com/file/d/1NLlVKTpWDo92NgnFapm1rk-N9yB_-6u3/view?usp=share_link or see below for a list of examples
Choose one property

File must be publicly accessible (“Anyone with link”)

Files are downloaded only for analysis on the server; results are not indexed or shared.

Typical runtime: ~1–2 minutes (diffusion), ~2–4 minutes (mds or asdf)

Analysis options

Diffusion: Tracer diffusivities from MD trajectories

MDS (entropy): Configurational, vibrational, and electronic entropies, and phonon density of states from MD

ASDF (entropy): Combined configurational and vibrational entropies as information entropy from MD

Cite this work:

Diffusion: Qi-Jun Hong et al., Extending SLUSCHI for Automated Diffusion Calculations, Calphad, 2026. Download.

MDS: Qi-Jun Hong and Zi-Kui Liu, Generalized approach for rapid entropy calculation of liquids and solids, Phy. Rev. Research, 2025. Download.

ASDF: Dallin Fisher and Qi-Jun Hong, Thermodynamic Entropy as Information — A compression-based demonstration of the Shannon-Boltzmann equivalence in condensed matter, arXiv, 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, 2016. Download.

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

Download SLUSCHI source code from GitHub here.

Examples

Example 1: Al, 1000 K, liquid, 186 atoms, https://drive.google.com/file/d/1MwleYDiwKEsfmd8Q7FvX72hsaqo797Pr/view?usp=share_link

Example 2: Al, 1000 K, solid, 186 atoms, https://drive.google.com/file/d/1iuvGF-uhY5rBzagEcTFL5eocaBve9Uhp/view?usp=share_link

Example 3: LLZO, 1500 K, solid, 186 atoms, https://drive.google.com/file/d/1NLlVKTpWDo92NgnFapm1rk-N9yB_-6u3/view?usp=share_link

More than 100 MD trajectories available in this Dropbox folder: https://www.dropbox.com/scl/fo/ggxxf0eqo0s0swe7y5vgx/AMtPhG3mytCESb07ZiuhZmI?rlkey=neixgtgsa1a6fvs4npq2cql0h&st=put4y864&dl=0

Financial Support

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

The development of asdf 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.