Computational chemistry · Molecular dynamics (GROMACS, PLUMED) · Enhanced sampling & free-energy methods (metadynamics, thermodynamic integration, MM/PB(GB)SA) · DFT · Machine learning for chemistry · Python & HPC 

Master's student in Molecular and Biological Chemistry, combining physics-based simulation and machine learning to understand and predict molecular behaviour. Teaching assistant and private tutor in chemistry and physics, with a strong interest in science education and sustainable issues.