For MC Doctoral Networks PREDICTOR (2 positions on battery modeling) and TRACK THE TWIN (Quantum dot modeling) we are looking for 3 PhD students with interest in software / method development in computational chemistry and materials science. More details ...
PREDICTOR positions:
Position 1:
develop advance thermodynamic methods for accurately calculating solubility and solution free energy, with a particular emphasis on electrolyte systems. The focus is on improving and expanding SCM’s existing methodologies, including COSMO-RS, Pitzer-Debye-Hückel, and machine learning (ML)-based approaches.
Position 2:
research and implement new combined machine learning (ML) + molecular dynamics (MD) methods for quickly assessing the performance of redox-flow batteries based on organic electrolytes.
Position 3 (Track The Twin)
Research and implement new methods for reactivity exploration, focused towardson surface reactions. The work will build upon and improve SCM's existing methods for reactivity exploration, the main example of which is based on the ab initio nanoreactor method for small molecules. The new work will make use of SCM’s general computational chemistry toolbox, which include an advanced molecular dynamics driver and machine learning potentials. The ultimate goal is to allow accurate predictions of reactions and products on the surface of quantum dots with exogenous ligands.
Good theory background, software development experience
Attractive salary, pension fund, 34 holidays, ...
Software for Chemistry & Materials B.V. (SCM) is an Amsterdam-based computational chemistry software company. Originally spinning out from the Vrije Universiteit as Scientific Computing & Modelling NV in 1995, the SCM team supports and develops the Amsterdam Modeling Suite, centered around the flagship program Amsterdam Density Functional (ADF), which was originally developed in the 1970s in the theoretical chemistry department.
Over a 160 authors have contributed to our software. SCM is now a thriving private company collaborating with large companies and academic development groups around the world, and participating in many EU projects as well as national ones. SCM’s powerful computational chemistry tools are used by seasoned theoreticians as well as experimental researchers. Our customers are active in academia, government labs and industry studying various fields of chemistry and materials science.
Your contact: Dr. S.J.A. van Gisbergen
