Browser-first research tools for RMC analysis, neutron diffuse scattering, and phonon dynamics. These projects emphasize local data privacy, interactive visualization, and deployable workflows that can run directly from GitHub Pages when the science allows it.
A fully client-side phonon analysis app for RMCProfile ensembles. Open the hosted page, select a local run folder, and compute phonon band structures, animated 3D modes, simulated INS S(|Q|,E), and phonon DOS directly in the browser.
- Problem: RMC ensembles encode experimentally constrained local disorder, but translating those configurations into lattice-dynamical insight usually requires separate scripts, backends, or model assumptions.
- Approach: The app extracts displacement-covariance phonons from the selected ensemble, runs the S(k) diagonalization on the user's machine with WebGPU, and keeps all files local through the browser folder picker.
- Value: It turns RMC-derived structure into interactive dynamics: dispersion curves, soft-mode highlighting, 3D eigenvector animation, INS maps, DOS, fit-quality overlays, and phonopy-compatible exports without installing a scientific stack.
A Python toolkit and hosted browser console for cleaning 3D reciprocal-space neutron diffuse scattering volumes and preparing 3D-ΔPDF analysis products from Mantid-style HKL data.
- Problem: Weak diffuse signals can be buried under powder-ring backgrounds, sharp Bragg and satellite peaks, radial pedestals, and transform artifacts before 3D-ΔPDF interpretation even begins.
- Approach: The workflow unifies ring subtraction, Bragg/satellite punching, q-shell backfill, radial-background flattening, 3D-ΔPDF transforms, inverse-FFT consistency checks, and multi-view visual QA.
- Value: It provides both full-resolution native workflows and a GitHub Pages web app that can run real pipeline stages client-side via Pyodide for modest volumes, making cleanup decisions inspectable and reproducible.
A browser-hosted dashboard and Python package for RMCProfile, STOG, and EXAFS outputs. Select a run folder locally and inspect refinement plots, live updates, KDE slices, and folded 3D structure views without uploading data.
- Problem: RMC validation often sprawls across CSV outputs, text logs, structure files, static figures, and separate viewers, slowing the feedback loop during refinement.
- Approach: The toolkit combines a static React/Vite app, optional Flask backend, reusable Python parsers, browser-native SVG charts, Three.js structure views, and WebGPU-accelerated KDE with CPU fallback.
- Value: It makes RMC post-processing portable and visual: live data monitoring, EXAFS-aware plotting, figure export, .rmc6f conversion, model summaries, density slices, and 3D inspection from a privacy-preserving web workflow.