02/10/2019

Germany/LMU: 3 Ph.D. Student Positions in Theoretical Chemistry funded by ERC


Application deadline: 15 November 2019

Three ERC funded Ph.D. positions are available on the research group (AK Jagau), situated at the Department of Chemistry, LMU Munich. Open to three excellent and highly motivated Ph.D. students to work on the project T-CUBE (Theoretical Chemistry of Unbound Electrons) funded by a Starting Grant of the European Research Council.

Project description: T-CUBE aims at the theoretical modeling of chemistry involving the electronic continuum. At present, pathways and product distributions of processes involving unbound electrons such as dissociative electron attachment and Coulomb explosion are poorly understood. T-CUBE seeks to overcome these limitations. We will investigate the chemistry of unbound electrons in larger molecules and condensed phase, for example, in solutions, polymeric networks, and biomolecules. Aspects that we will address include: energetics and character of resonances in different environments, resulting changes in chemical reactivity, and the interplay of nuclear motion and electron loss. To achieve these goals, quantum chemistry needs to be advanced substantially. We will develop

  • quantum-chemical methods for electronic resonances suitable for up to 100 atoms

  • a quantum embedding scheme for describing different environments

  • molecular dynamics simulations that take into account electron loss

Successful candidates will be involved in either of these projects.

Start date: 01/03/2020 or upon mutual agreement

Duration: Up to 4 years. The positions are initially offered for one year, but with the intention of a 3-year extension.

Website: Further information about the project is available at: http://jagau.cup.uni-muenchen.de/research/erc-stg-project-t-cube/

How to apply: Applications and inquiries should be sent by email to Dr. Jagau (th.jagau@lmu.de). Your application should include in PDF format.

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