진학프로석·박사 채용 접수 플랫폼

CONTEXT: The MAPPLE (standing for MAssively Parallel Polarizable Linear-scaling QM/MM for Enzymatic catalysis) project, funded by the French Research Agency, aims at developing new computational hybrid QM/MM molecular dynamics methods and software, especially targeting chemical and photochemical reactivity processes occurring in biomolecules at long time scales. Having already produced promising computational tools, like periodic boundary conditions for ab initio QM/MM methods or polarizable embedding within the Direct Reaction Field approach, our group is looking for a talented postdoctoral researcher who is willing to significantly contribute to the MAPPLE project. 

The group is located in Marseille, France, only a couple of km from the Mediterranean Sea. Marseille is a vibrant and vivid city, rich of its various communities, and well connected to major French and European cities. Aix Marseille University strongly supports their employees (e.g. health insurance or daily commuting expenses) and provide efficient assistance in the hiring process of foreign researchers.

RESEARCH PROGRAM: Two main lines of research are proposed.

1. 
   
2. Further developing the QM/MM tools. In particular, we aim at merging in a single framework both the approach based on periodic boundary conditions and the polarizable ab initio QM/MM method. The hired researcher will contribute with formal mathematical derivations and implementation in publicly available software (Fortran, C or Python).
3. Applying the locally developed QM/MM methods to challenging enzymatic and photoactivated reactions. In particular, we would like to revisit the complete catalytic cycle characterizing the photodecarboxylase enzyme.

Should you be interested in these topics, don’t hesitate to discuss your ideas with us and ask any question along these liness.