Quantum-Chemical Method Developments and/or Applications for Gaining Insights into Complex Molecular Processes
Prof. Christian Ochsenfeld, Chemistry Department, Ludwig-Maximilians-University Munich (LMU)
A PhD position in the field of quantum chemistry is announced. The research focus is either (or both) on developing quantum-chemical methods for large molecules (linear-scaling methods) with thousands of atoms or on applying such methods to study molecular processes ranging from DNA repair, cell-virus interactions, or RNA catalysis.
The applicant should hold a master (or equivalent) in chemistry, physics, or biochemistry and should have profound knowledge of quantum chemistry.
For the PhD project two principle research directions (or also combinations of them) are possible:
- Application of quantum-chemical and QM/MM methods for studying DNA or RNA systems: This will include not only the calculation of interaction energies or reaction mechanisms, but also calculation of dynamical effects as well as properties such as NMR shieldings.
Experience in using quantum-chemical program packages or similar would be desirable.
- Development of fast quantum chemical methods for studying large molecules with 1000 and more atoms. A key is to reduce the strong scaling for the computational effort with molecular size to linear.
The project requires profound knowledge of quantum mechanics and preferably knowledge in coding, e.g., in C or C++ (or Fortran).
More information about the group:
Prof. Ochsenfeld's website