PhD Position on the simulation of enantioselective chemical reactions (m/f/d)
- Master's Degree in Physics, Chemistry or Physical Chemistry
- A solid background in molecular physics and condensed matter theory and previous experience in modern languages for data analysis (bash scripting, python) would be considered as a plus
- Strong theoretical background in Solid State Physics, Surface Science, Statistical Mechanics or Physical Chemistry
In this PhD project, the candidate will learn the methods of classical and ab initio atomistic simulation and apply them to the realistic modeling of physical and chemical systems that are investigated experimentally just next door in our lab. The key experimental finding is that some materials with weak expression of chirality at their surface exhibit strong enantioselectivity with respect to chemical reactions. The project aims at developing an atomistic level understanding of the mechanisms leading to the observed enantioselectivity by means of computer simulations. From the computational point of view this requires an accurate choice of the methods to model molecule/substrate interactions and the intrinsic crystal chirality with sufficient accuracy.
Within this project the PhD student will get acquainted with powerful methods like ab initio molecular dynamics, machine learning and scanning probe microscopy modeling.
The successful candidate will be integrated in the PhD Program of the Swiss Federal Institute of Technology Zurich (ETHZ), including the possibility of teaching assistance and bachelor and master project coaching, as well as being involved in the Swiss-wide project NCCR-MARVEL, aimed at discovering new materials with the computer.