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.
A few options worth considering.
Exploring the versatile matplotlib package.
Visualization of zeolite topologies classification, part II.
Visualization of zeolite topologies classification using bokeh.
A repository of chemistry related python tools
The first working version of the mendeleev app
Machine Learning, Deep Learning and Data Analytics
Check out the latest features of the Batch Calculator!
A bit about my PhD research activities.