UMA-ASE Web Interface

Get single-point energy, run geometry optimisation, and vibrational analysis at your fingertips.

Input Details

Select Input Geometry File

Charge

Spin Multiplicity

MLFF Checkpoint

MLFF Task

Run Type

Single Point GeoOpt Frequencies

Optimizer

Force (eV/Å)

Max Iter

Frequencies Settings

Temperature (K)

Pressure (Pa)

Summary

No structure loaded.

Actions

Results

Upload a structure and run a job to see results here.