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Staff James Barker

Contact Information

Fraunhofer-Institut für Algorithmen und Wissenschaftliches Rechnen SCAI
Friedrich-Hirzebruch-Allee 7
53115 Bonn
Phone: +49 228 73-69763
Office: FHA7 2.004
E-Mail: ed tod refohnuarf tod iacs ta rekrab tod semaja tod b@foo tod de

Affiliated to Fraunhofer SCAI


Winter semester 2017/18

Summer semester 2016

See teaching activities of the whole group.

Current Research Projects

Sparse grid methods for the electronic Schrödinger equation and mesoscopic material models

Project A07, DFG SFB 1060.



  1. Rapid prescreening of organic compounds for redox flow batteries: a graph convolutional network for predicting reaction enthalpies from smiles. L.-S. Berg, J. Hamaekers, J. Barker, and A. Maass. Batteries & Supercaps, 2021. BibTeX
  2. Band-limited maximizers for a Fourier extension inequality on the circle, II. J. Barker, C. Thiele, and P. Zorin-Kranich. Experimental Mathematics, 2020. Accepted for publication. BibTeX arXiv
  3. LC-GAP: Localized Coulomb descriptors for the Gaussian Approximation Potential. J. Barker, J. Bulin, J. Hamaekers, and S. Mathias. In M. Griebel, A. Schüller, and M. A. Schweitzer, editors, Scientific Computing and Algorithms in Industrial Simulations: Projects and Products of Fraunhofer SCAI, pages 25–42. Springer International Publishing, Cham, 2017. BibTeX PDF
  4. A multilevel approach to the evolutionary generation of polycrystalline structures. J. Barker, G. Bollerhey, and J. Hamaekers. Computational Materials Science, 114:54–63, 2016. Also available as INS Preprint No. 1525. BibTeX PDF