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PhD Scholarship in Theoretical Chemical Dynamics, Denmark


The Theoretical, Computational and Femtochemistry Group at DTU Chemistry studies chemical reactions on the atomic length and time scales. We develop theory and computational tools for describing and manipulating dynamical processes initiated in molecules by ultrashort (femtosecond) pulses and methods for converting data obtained using pulses of laser light and X-rays into snapshots of atomic motion . We strive to understand the details of the interplay between electronic and structural degrees of freedom in both model systems and in molecular systems relevant for photo-catalysis and solar energy harvesting.

We now invite applications for a PhD project in the group under the supervision of Klaus Braagaard Møller and Niels Engholm Henriksen. The project involves development of semi-classical and quantum theory of chemical dynamics and integration of highly sophisticated quantum chemical methods with dynamics simulations. An integral part of the project concerns analysis and prediction of experimental results, often in close collaboration with our colleagues performing time-resolved spectroscopic and scattering experiments in Denmark and abroad.

The project is highly ambitious, cutting-edge, and interdisciplinary. You are expected to be a driving force in all aspects of the scientific process, from implementation of computer codes to article writing. The project may involve travel to international X-ray facilities for experiments up to a few times each year.

Responsibilities and tasks
The successful candidate will be part of our strong collaboration with the Department of Physics at DTU within a project recently funded by the Danish Council for Independent Research | Natural Sciences. This collaboration provides an exciting local work environment and access to the newly build x-ray free-electron lasers (XFELs) in USA and Japan as well as the upcoming XFEL in Hamburg. We also have well-established collaborations with leading scientific groups around the World, including Asia, Europe and USA.

S.E. Canton et al., Nature Comm. (2015) A.O. Dohn et al., JPCL (2014) J.H. Lee et al., JACS (2013) K.B. Møller & N.E. Henriksen, Structure and Bonding (2012)

Applicants should have or be in the final stages of obtaining a master's degree in physical chemistry or molecular physics with excellent grades. A strong theoretical background is a must. Experience with developing new software and with using program packages for electronic structure calculations, wave-packet propagation, and MD simulations is a definite advantage. The successful candidate must be independent, self-confident, committed to doing research, and have good communication in the English language. As our projects are often of a highly collaborative nature, the successful candidate must also have good people skills and have demonstrated the ability to work well within groups.

Approval and Enrolment
The scholarships for the PhD degree are subject to academic approval, and the candidates will be enrolled in one of the general degree programmes of DTU. For information about the general requirements for enrolment and the general planning of the scholarship studies, please see the DTU PhD Guide

The assessment of the applicants will be made by Associate Professor Klaus Braagaard Møller and Associate Professor Niels Engholm Henriksen.

We offer
We offer an interesting and challenging job in an international environment focusing on education, research, public-sector consultancy and innovation, which contribute to enhancing the economy and improving social welfare. We strive for academic excellence, collegial respect and freedom tempered by responsibility.

Salary and appointment terms
Salary and appointment terms are consistent with the current rules for PhD degree students. The period of employment is 3 years. Depending on seniority the salary level corresponds to around 40.000 EUR/yr.

Further information
For more information, contact Klaus B. Møller,

Applications sent to this address will not be considered; instead, please apply online as described below.

You can read more about DTU Chemistry on

Further Information

Application Deadline : 30 September 2015

PhD Scholarship in Theoretical Chemical Dynamics : PDF

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Posted on 2015-08-22 00:54:58

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