PhD-student in Scientific Computing (V32.2917)

PhD-student in Scientific Computing

The Department of Mathematics and Computer Science has a vacancy for a PhD student in the section CASA - the Center for Analysis, Scientific Computing, and Applications.
Faculteit Wiskunde & Informatica
Instituten en overigen
Institute for Complex Molecular Systems


CASA, the Center for Analysis, Scientific Computing, and Applications is one of three sections of the Division of Mathematics, in addition to the sections Discrete Mathematics and Stochastics. The major research objective of CASA is to develop new and improve existing mathematical methods (both analytical and numerical) for a wide range of application areas. There are three subgroups: the Applied Analysis group mainly focuses on qualitative properties of solutions of partial differential equations; the Scientific Computing group concentrates on development and analysis of numerical methods; and the Mathematical Image Analysis group focuses on design and implementation of algorithms for the analysis and manipulation of images.

The CASA section currently has eight full professors (three full-time and five part-time), twelve associate/assistant professors, thirty PhD students and postdocs, and three lecturers.

Project description
A PhD position (fully funded for four years) is available within the "Multiscale Simulation of Charge and Energy Transport" group in the Center for Analysis, Scientific Computing, and Applications (CASA) at the Department of Mathematics and Computer Science of TU Eindhoven. The group led by Björn Baumeier focuses on multiscale materials modeling to study electronic excitations in complex nanostructured molecular systems.

The PhD project is part of a joint project with the group of prof. dr. Reinder Coehoorn from the Department of Applied Physics and is tightly embedded in the activities of the Institute for Complex Molecular Systems (ICMS). The ICMS brings together mathematics, physics, biology, chemistry and engineering to stimulate education and research in how matter – both natural and artificial – self-organizes into functional molecular systems.

The scope of the project will be to develop and apply our simulation tools combining first-principles electronic structure theory with molecular mechanics and rate-based methods to study electronic excitations and their dynamics in molecular materials for next-generation Organic Light Emitting Diodes (OLEDs). Particular focus will be directed to the advancement of quantum-classical setups incorporating Many-Body Green's Functions Theory (GW-BSE) to predict the energetics and dynamical processes of charged and neutral excitations in bulk systems, at surfaces, and interfaces between functional molecular layers.


We are looking for a candidate with

  • a solid background in physics, chemistry, or mathematics, with an interest in quantum chemistry and molecular dynamics;
  • high motivation for method development;
  • programming experience;
  • an interest in cross-topic collaboration between different disciplines;
  • candidates from non-Dutch or non-English speaking countries should be prepared to prove their English language skills;
  • good communicative skills in English, both in speaking and in writing.


We offer:

  • a challenging job in a dynamic and ambitious University;
  • full-time employment as a PhD-candidate for a period of 4 years;
  • a gross salary of € 2191 per month in the first year increasing up to € 2801 in the fourth year;
  • annually 8% holiday allowance and 8.3% end of year allowance;
  • support with your personal development and career planning including courses, summer schools, conference visits etc.;
  • a broad package of fringe benefits (including an excellent technical infrastructure, child care, moving expenses, savings schemes, coverage of costs of publishing the dissertation and excellent sports facilities).

As part of an equal opportunity scheme, women are encouraged to apply. Attaining a PhD at Eindhoven University of Technology provides you with excellent career opportunities.

Informatie en sollicitatie

More information can be obtained from:

  • Requests for more details and other questions about the academic content of the project should be directed to: Dr. Björn Baumeier, e-mail:
  • For further information please contact: Charl Kuiters, HR advisor, e-mail:

To apply, please send us your cover letter, curriculum vitae and other relevant documents by using the ‘apply now’ button on the TU/e website.

Please send us your application before June 1, 2017