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DFT

PostDoctoral Position - Itodys, Univ. Paris Diderot, France

Submitted by yann.charles on

no longer available.

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A postdoctoral position in france is openened on DFT calculations to get the influence of hydrogen on grains boudaries failure in Al polycristals. This work is a between LSPM and ITODYS labs.

Please find the position attached.

 

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PhD and PDF positions at Oregon State University

Submitted by burkan.isgor@o… on

We have a number of open positions in our research group that are available immediately. Summary of the positions are provided below; however, for more information about our research group, please visit 

http://web.engr.oregonstate.edu/~isgorb/

Postdoctoral Research Associate at Shenoy Research Group at University of Pennsylvania

Submitted by Dibakar Datta on

 A postdoctoral position with primary focus on first principles modeling is available immediately at Shenoy Research Group at UPenn. We are looking for a strongly motivated candidate to work on modeling the performance characteristics
of nanomaterials for energy storage. The ideal candidate will have a background
in materials science/computational physics/quantum chemistry with expertise in density functional theory

Linear scaling solution of the all-electron Coulomb problem in solids

Submitted by N. Sukumar on

In this manuscript (available at http://arxiv.org/abs/1004.1765), we present a systematically improvable, linear scaling formulation for the solution of the all-electron Coulomb problem in crystalline solids. In an infinite crystal, the electrostatic (Coulomb) potential is a sum of nuclear and electronic contributions, and each of these terms diverges and the sum is only conditionally convergent due to the long-range 1/r nature of the Coulomb interaction.