Max J. Hoffmann

ProjectsCode that Might be Useful to You

PapersThat are out there

TalksMostly on simulating multi-scale surface science phenomena

BlogFor some random reading

PhotosSomething Soothing for the Eyes


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Catalysis-Hub.Org (Frontend/Architecture)

Catalysis Hub is a React frontend for the Catalysis Hub database. More soon under Documentation at ReadTheDocs. Testing at Travis CI.

Screenshot of


kmos is a python framework suitable for fast setup and evaluation of lattice kinetic Monte Carlo models. It basically allows you develop your model with as little coding a necessary and you can make nice movies, too. Please check out the documentation and the paper (paywall).

Castep ASE Calculator

Readme for ASE Castep calculator

The Castep interface is a python module that was initially developed with Joerg Meyer, who wrote most of the parsing, to leverage the awesome functionalities of the Atomic Simulation Environment with the plane-wave pseudo-potential DFT Code CASTEP. It has been merged into ASE and received maintenance from different people. Secret sauce: keywords are processed from invoking CASTEP binary so the interface can automatically deal with newly implemented features in CASTEP Code.


The dbmi module implements the adsorbate-adsorbate interaction framework presented in J. Phys. Chem. C, 2016, 120 (24), pp 13087–13094.

Repository page of dbmi project.

Side Projects


nmrfmo is a React Native app that summarizes events from over 200 website on a single map.

Screenshot from nmrfmo Expo page

Made In Democracy

A simple mobile app (source) that let’s you look-up indicators from your phone about the state of democracy, worker’s rights, and freedom of press while shopping.


wikiexplore is a single-page app that helps exploring one’s geographical environment by leveraging the power of OpenStreetMap and Wikipedia. (Give it a second to load initially.)