Tools supporting recent DFT electrocatalytic work in the Dr. Mike Janik group
Advanced electrochemical impedance spectroscopy (EIS) simulation, fitting, and equivalent circuit analysis platform.
This repository contains a Python script designed to perform Density Functional Theory (DFT) calculations to obtain the Oxygen Evolution Reaction (OER) free energy. The calculations are conducted using GPAW, and ASE (Atomic Simulation Environment) is used for system design.
Bilingual catalyst design guidance skill for AI agents (Claude Code / OpenClaw / Hermes / Cursor / WorkBuddy). 催化剂设计指导技能
Bilingual catalysis literature search skill for AI agents (Claude Code / OpenClaw / Hermes / Cursor / WorkBuddy). 催化文献检索技能
Interactive X-ray diffraction reference patterns and observed−simulated difference plots.
A Python toolkit for analyzing molecular and surface electrocatalysts in solvated and ion-rich environments
Catalyst Overall Manufacturing Estimation Tool: early-stage catalyst cost estimates from live metal prices. Windows desktop, fully local.
Python tools for electrochemical data import, plotting, and analysis, with support for CV, CA, CP, DPV, and electrocatalysis workflows.
ML-assisted electrocatalyst screening workflow
Green hydrogen electrolysis catalyst discovery — 20-doc research synthesis, Bayesian optimisation, CaWO4 phase engineering, SHAP analysis, Streamlit dashboard
Room I: Fe-Mo-S Biomimetic Dinitrogen Activation & Sub-Zero eNRR PCET Model [PHYSICAL HOLD]
Autonomous research agent that turns scientific PDFs into a provenance-tracked, ontology-aligned RDF knowledge graph.
Bilingual academic portfolio of Chen Xin (Xander), focused on materials science and electrocatalysis.
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