Postdoctoral position in computational science

A postdoctoral position at Lehigh University is available for computational research in the area of electronic transfer processes.

Research in the Jaeger group aims toward the characterization of charge and energy transfer in nanoscale materials, without reliance on empirical models and parameters.  The ideal candidate will have a working knowledge of excited-state electronic structure and/or ab initio molecular dynamics.  As a newly formed research group, we are looking for an individual with an aptitude and interest for programming our current, nonadiabatic, quantum-classical methods (see J Chem. Phys. 137 22A545 2012) within the quantum chemical software package, Psi4.   http://www.psicode.org

Our methodology will be applied to the following:

Electron and energy transfer in metal-organic frameworks. Metal-organic frameworks designed with molecular chromophores enable photo-activated chemistry within a rigid environment.  Time-domain simulations of exciton dynamics, complemented by accurate electronic structure computations, will be carried out, yielding timescales of exciton transfer, exciton dissociation, electron-hole recombination, and MOF-to-substrate charge transfer.

Charge carrier dynamics within semiconducting nanowires.  Nanowires efficiently absorb light in the solar spectrum and, through core-shell or asymmetric designs, intrinsically separate and transport charge.  The phonon-driven processes of charge separation and relaxation within electronically excited nanowires will be elucidated from time-domain density functional theory paired with surface hopping techniques. 

The position is for one year, beginning September 1st, 2013, with possible extension to a second.  A Ph.D. in either chemistry or physics received within the last 5 years is required.

To apply, send an e-mail to heathermjaeger(a)gmail.com with a brief description of your current research, curriculum vitae, list of publications, and the names of 2-3 referrals. 

We are a new research group in the Department of Chemistry at Lehigh University with dedicated computational resources and freshly renovated offices.  This is an excellent opportunity to play an instrumental role within an exciting research agenda.

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