PhD position Computational Chemistry, Avant-garde Materials Simulation, Freiburg, Germany

Avant-garde Materials Simulations (AMS) is in charge of the DC5 package. The goal of the project is twofold: improve the mathematical framework of tailor-made force fields to further approach ab initio accuracy and reduce the CPU time requirements of the parameterization procedure.

You will drive and execute a project entitles “Artificial Intelligence (AI)/Machine Learning (ML) assisted parameter generation for an ab-initio-grade force field covering all mainstream organic chemistry”.