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PhD position in Multiscale Modelling of Electro ... (No replies)

6 months ago
baumeier 6 months ago

In the context of the NWO Vidi project of Dr. Björn Baumeier, a 4 year PhD position is available at the Centre of Analysis, Scientific computing and Applications (CASA) in TU Eindhoven’s Department for Mathematics and Computer Science & Institute for Complex Molecular Systems.

Long distance electronic transport (LDET) and chiral-induced spin selectivity (CISS) are two extraordinary emergent electronic phenomena observed in nanostructured molecular materials. Presently the underlying physicochemical origin related to the mechanisms of the dynamics of excitations is not understood.

The aim of the project is to understand their origin by development and application of a comprehensive set of multiscale computer simulation methods that allow for a bottom-up simulation of charge and exciton/energy dynamics in large-scale supramolecular materials. These models link quantum chemistry, classical Molecular Dynamics at all-atom and coarse-grained levels, and rate-based models. We are actively developing methods in these areas with the biggest emphasis currently being on the adaptation of Many-Body Green’s Functions Theory (GW-BSE) for molecular systems and its use in hybrid quantum-classical simulation setups.

We are looking for a candidate that meets the following requirements:

  • a solid background including Master Degree in a relevant field (physics, chemistry, mathematics);
  • a strong interest in method development and implementation (C++);
  • being enthusiastic about collaboration with experimentalists;
  • good communication skills, and proficiency in English;
  • Experience with the use of standard quantum chemistry software, as well as molecular dynamics packages is of advantage.

We offer:

  • A full time temporary appointment for a period of 4 years, with an intermediate evaluation after 9 months;
  • A salary is offered between € and € ross per month (gross), based on salary scale 27 CAO Dutch Universities);
  • A holiday allowance (8%, May), and end-of-year bonus (8.3%, December);
  • For candidates from abroad, a tax benefit (30% tax regulation) under the condition they meet the necessary regulation requirements;
  • Support for your personal development and career planning (PROOF program);
  • A broad package of fringe benefits, e.g. excellent technical infrastructure, child daycare and excellent sports facilities.

More information

  • For more information about the PhD position in the XLTRANSNANO project please contact dr. Björn Baumeier by e-mail: [email protected]
  • For more information about the employment conditions contact drs.Charl Kuiters (HR advisor), e-mail: [email protected]  or by telephone: +31 40 247 2735.


 The application should consist of the following parts:

  • Cover letter explaining your motivation and qualifications for the position;
  • Detailed Curriculum Vitae;
  • Names of at least two referees;
  • Copies of your diplomas together with the list of grades, and other relevant certificates;
  • proof of English language skills (if applicable).

The selection process will start immediately and will continue until the position get filled. The position is fully funded and immediately available. The start date is flexible but no later than October 2018.

To apply, follow the instructions on 

Applications submitted by e-mail will not be considered.

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