Quantum Chemistry Calculations from XYZ Files - Non-blocking UI
Initializing Web Worker...
Upload Molecule
Drop XYZ file or click to browse
File:
Calculation Method
SCF Settings
Note: Threading >1 requires CORS headers for SharedArrayBuffer
Upload a molecule to begin.
Calculation Output
Calculation Results
Energies
Molecular Properties
Export Wavefunction
Export the calculated wavefunction for use in other quantum chemistry programs or analysis tools.
Generate Cube Files
Generate cube files for visualization in molecular viewers like NGL, VMD, or ChimeraX.
About This Calculation
This quantum chemistry calculation was performed entirely in your browser using WebAssembly (WASM), with no data sent to any server. The calculation ran in a Web Worker to keep the UI responsive.