Łukasz Mentel

computational chemist // developer


I'm a theoretical chemist working currently in th Catalysis Group at the University of Oslo in Norway. The main focus of my current scientific efforts if to develop quantitative models relating the structure of the zeotype acid catalysts to their catalytic activity.

Previously I worked at the Section of Theoretical Chemistry at the VU University Amsterdam in the Netherlands, where I did my PhD Thesis exploring the use of Reduced Density Matrices in electronic structure calculations.

I am also a big computer enthusiast especially when it comes to Python programming. I use Python extensively in my work and also write my own packages, if you want to know more visit the Software section.

Latest blog posts

Visualizing ASE structures in Jupyter notebook

A few options worth considering.

Visualizing reactor simulation results

Exploring the versatile matplotlib package.

Zeolite Framework Classification II

Visualization of zeolite topologies classification, part II.

Zeolite Framework Classification

Visualization of zeolite topologies classification using bokeh.

Awesome Python Chemistry

A repository of chemistry related python tools

mendeleev web app

The first working version of the mendeleev app

Geilo Winter School

Machine Learning, Deep Learning and Data Analytics

Batch Calculator v0.3.0 released

Check out the latest features of the Batch Calculator!

PhD Thesis Completed!

A bit about my PhD research activities.