The truth is rarely pure and never simple

Dr. Guido Falk von Rudorff

Postdoctoral Researcher Computational Chemistry at University of Vienna

Quantum Alchemy

I develop Quantum Alchemy for materials design problems to assess millions of molecules at once instead of scanning them one-by-one.

Solid/liquid Interfaces

Solid/liquid interfaces are at the core of many applications. I work on describing protonation states and surface reorganisation.

Machine Learning Models

Non-parametric models are powerful tools. I use them to model reaction barriers and scheduling problems.