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Quantum Chemistry Utilities

Interactive tools and calculators running entirely in your browser using WebAssembly

Wavefunction Calculator

Perform quantum chemistry calculations (HF, DFT) directly in your browser. Compute energies, orbitals, and molecular properties.

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XYZ Trajectory Viewer

Visualize molecular trajectories and animations. Support for optimization paths, MD simulations, and unit cell visualization.

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Elastic Tensor Analysis

Analyze elastic tensors and mechanical properties. Interactive 2D/3D visualizations of directional dependencies.

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SMILES Viewer

Convert SMILES strings to molecular structures. Instant 2D visualization powered by RDKit.js.

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LAMMPS Interface

Run LAMMPS molecular dynamics simulations directly in your browser. Upload input files and run simulations using WebAssembly.

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Technologies

These tools are powered by OCC (Open Computational Chemistry) for quantum chemistry calculations, RDKit.js for molecular structure manipulation, and NGL Viewer for 3D visualization. All computations run locally in your browser.