My current research interests include a broad range of topics in statistical mechanics and ML, ranging from generative modelling for molecular simulation, learning large-scale simulators, ML-based free energy estimators, enhanced sampling techniques, and causal decision making.
My PhD, under the supervision of Daan Frenkel, comprised statistical modelling and advanced simulation techniques to study the behaviour of polar solvents far from thermal equilibrium. I contributed to the molecular dynamics package LAMMPS and won an award for my PhD thesis.
This course was a deep dive into selected topics ranging from statistical mechanics to chaos theory, with extensive practical training in Monte Carlo and molecular dynamics (MD) simulations. My Master's project was jointly supervised by Christoph Dellago and Daan Frenkel.
This course focused on numerical solutions to differential equations and High Performance Computing (C++, OpenMP, MPI and CUDA). For my dissertation, supervised by Nikos Nikiforakis and Franck Monmont, I implemented the C++ CFD code Impec2D to investigate the dependence of common oil reservoir solvers on the orientation of the grid.
The 3-year undergraduate programme was an excellent training in maths, physics, mathematical modelling and scientific computing. My Bachelor's thesis was concerned with modelling atmospheric flows in Cartesian and spherical geometry.
As an alternative to the compulsory military service, I worked for the Red Cross for a period of 9 months and became a paramedic.
The 5-year long technical high school HTL Villach provided me with a solid background in software engineering, in particular C/C++ and Java, algorithms, data structures and data bases (SQL, PL/SQL).