PhD in Mathematics

These days, the inner workings of molecules and materials can be probed and modelled by advanced simulation tools on modern computer architectures. However, the routine applications of the overwhelming majority of all such tools in existence today yield properties that fail to map to bonds, the entities of main interest to most of synthetic chemistry./nTo that end, BONDS – a new long-term project funded by the Novo Nordisk Foundation and led by Assoc. Prof. Janus Juul Eriksen @ DTU Chemistry – revolves around the development of new decompositions of molecular properties into local contributions that can provide key insight into the role of individual functional groups and the bonds that link these./nWe are offering a 3y PhD position for a talented, motivated, and ambitious candidate to help develop these new manners by which to promote bonds as kernels in the interpretation of chemical simulations. For this purpose, novel theory and simulation software will need to be developed. The ideal candidate for the position is a driven early-career scientist with a deep and genuine interest in seeking to better influence and complement chemical synthesis by inferring mechanistic details, reaction rules, and help establish more sophisticated rational design protocols. You will play a pivotal part in achieving this exciting and challenging goal. Location: DTU Chemistry, greater Copenhagen area.