Dear colleagues,
The Computational Carbon Chemistry (CCC) group at the Heidelberg Institute for Theoretical Studies (HITS gGmbH) is looking to fill a PhD position (m/f/d) in computational chemistry to work on the ERC Starting Grant “PATTERNCHEM: Shape and Topology as Descriptors of Chemical and Physical Properties in Functional Organic Materials”. Please share within your circles!

Details and application link: https://www.h-its.org/hits-job/phd-position-m-f-d-in-computational-chemistry/

Application deadline: December 31, 2022

Requirements: Master’s degree (or be close to completion) in chemistry, physics, materials science, or a related discipline, and an experience in chemical modelling and numerical simulations.

Project: This interdisciplinary research project involves high-level, high-throughput, and multiscale simulations of functional organic materials, including graphene derivatives, covalent organic frameworks, and hyperbranched polymers. Novel representations of material structure and descriptors of the non-covalent interactions between materials and small molecules for machine learning will be developed and implemented. The ultimate goal of PATTERNCHEM is to build an all-encompassing, adaptable framework for modelling interactions of multifaceted functional organic materials with their molecular targets, filling the missing links with newly devised structural fingerprints and energetic descriptors.

Many thanks,
Anya