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PhD Position: "Multiscale Quantum-Classical ... (No replies)

baumeier
8 years ago
baumeier 8 years ago

A PhD position (fully funded for four years) is available within the "Multiscale Simulation of Charge and Energy Transport" (MuSCET) group at the Department of Mathematics and Computer Science & Institute of Complex Molecular Systems of Eindhoven University of Technology. The group led by Björn Baumeier focuses on the development and application of a multiscale simulation ansatz to study charge and energy dynamics in nanostructured materials. We combine first-principles electronic structure theory with molecular mechanics and kinetic Monte-Carlo methods. Our approach facilitates a systematic understanding, and eventual control, of the interplay between molecular electronic structure, local and mesoscale material morphology, and device performance.

The particular projects deals with the development and application of our simulation tools to study electronic exciations 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. This inherently interdisciplinary research relies on close collaboration with the group of Reinder Coehoorn in the Department of Applied Physics.

REQUIREMENTS

We are looking for a candidate with a background in physics, chemistry, or mathematics, with high motivation and broad general interest in multidisciplinary work. Programming experience (C/C++), good communication skills, and proficiency in English is required. Experience with the use of standard quantum chemistry software, as well as molecular dynamics packages is of advantage.

MORE INFORMATION

For more information about this position contact Dr. Björn Baumeier, Eindhoven University of Technology, Department of Mathematics and Computer Science & Institute for Complex Molecular Systems, E-mail: [email protected].
For more information about the employment conditions contact TU/e personnel department, e-mail: [email protected] or by telephone: +31 40 2472321.

APPLICATION:

The application should consist of the following parts:
- a motivation letter
- a Curriculum Vitae
- copies of your diplomas together with the list of grades, and other relevant certificates
- names and addresses of two referees
- proof of English language skills (if applicable)

Applications should be sent only in PDF format, using the subject line [PhD OLED], via e-mail to Dr. Björn Baumeier, ✉ [email protected].




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Ab initio (from electronic structure) calculation of complex processes in materials