Postdoctoral Position in Theoretical Chemistry

Updated: 2 months ago
Job Type: FullTime
Deadline: 15 Jun 2020

ERC funded postdoctoral position: Our research group, situated at the Department of Chemistry, KU Leuven, is looking for an excellent and highly motivated postdoctoral scholar to work on the project T-CUBE (Theoretical Chemistry of Unbound Electrons) funded by a Starting Grant of the European Research Council. We offer you to join a young and aspiring team of currently 7 researchers in a stimulating work environment.

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.

To model reactions involving unbound electrons, ab initio molecular dynamics simulations shall be carried out on the complex-valued potential energy surfaces of electronic resonances. The unique feature of these reactions is that nuclear motion (governed by the real part of the energy) competes with electron loss (governed by the imaginary part of the energy). To model the later process, a surface hopping approach shall be developed and integrated within existing molecular dynamics schemes.

The successful candidate is expected to take the lead in developing and implementing the framework necessary to simulate molecular dynamics on complex-valued potential energy surfaces.

Salary: Competitive salary commensurate with experience and according to the rules and regulations of KU Leuven

Start date: 01/08/2020 or upon mutual agreement

Duration: Up to two years. The position is initially offered for one year, but with the intention of a one-year extension.

Website: Further information about the division of quantum chemistry at KU Leuven is available at Further information about the project is available at and at

Application deadline: 15/06/2020

How to apply: Applications and inquiries should be sent by email to Prof. Dr. Jagau ( ). Your application should include in PDF format

  • a brief cover letter explaining your research interests and motivation to apply (max 1 page)
  • your CV (max 3 pages)
  • your list of publications
  • your PhD certificate
  • your B.Sc. and M.Sc. certificates
  • the names and contact details of 2-3 academic referees (preferably not all affiliated with the same institution)

The position will be filled as soon as possible, preference will be given to applications received before the deadline (15/06/2020). Applications received after the deadline might be considered.

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