x-ray-photoelectron-spectroscopy

Free, cross-platform XPS (X-ray photoelectron spectroscopy) peak-fitting app with a built-in fit auditor and a citation-backed reference database — the modern XPSPEAK 4.1 replacement. macOS & Windows, GPLv3.

Shiny app for X-ray Photoelectron spectrometer .xy raw files visualisation and conversion into .csv file.

Research, CV, Resume

cebeconf: A package of machine-learning models for predicting 1s-core electron binding energies of CONF atoms in organic molecules.

This app converts SCIENTA SES spectra (.txt format) into energy vs intensity two column format by integrating along the angular dimension, suitable for XPS data analysis.

Open-source cross-platform XPS post-processing app for Avantage exports, built with Flet, xarray, NetCDF, Matplotlib and Plotly.

An AiiDA plugin designed for core-level spectroscopy calculations using Quantum ESPRESSO