CV

Professional experience

Postdoctoral Researcher / Software Scientist

   University of Colorado Boulder, USA
  2017 - 2021

• Redesigned the GROMACS simulator loop to be modular and encapsulated, improving maintainability and extensibility
• Added a Monte Carlo framework, allowing for high-performance hybrid MC/MD simulations
• Diverse improvements to the GROMACS functionality and test infrastructure
• Developed and released the physical_validation Python package testing simulation results for their physical validity
• Implemented new end-to-end GROMACS tests validating the physical correctness of code changes

Postdoctoral Researcher

   BOKU Vienna, Austria & ETH Zürich, Switzerland
  2016

• Significantly improved the serial and parallel performance of the GROMOS simulation package by different means, including the implementation of parallelization via domain decomposition and improvement of the GPU support.

Graduate Research Assistant

   ETH Zürich, Switzerland
  2011-2016

• Developed protocols for property calculations in force field development
• Studied statistical physics and the correct sampling from ensembles, derived and implemented novel equations of motion to sample arbitrary ensembles
• Investigated electrostatic interactions and the behavior of water under applied electric fields

Undergraduate Research Assistant

   ETH Zürich, Switzerland
  2008-2010

• Developed a simulator for MRI machines in MATLAB and C++

Education

Ph.D. in Physical Chemistry

   ETH Zürich, Switzerland
  2011-2016
Thesis: Computer Simulation of Liquids: Force-Field Development, Property Calculation, and Sampling from Artificial Ensembles

M.Sc. in Computational Science and Engineering

   ETH Zürich, Switzerland
  2010-2011
Specialization: Chemistry and Biology, Theoretical Physics

B.Sc. in Computational Science and Engineering

   ETH Zürich, Switzerland
  2006-2010
Specialization: Chemistry and Biology