Staff Dr. James Barker
Contact Information
Address:
Institut für Numerische Simulation
Friedrich-Hirzebruch-Allee 7
53115 Bonn
Friedrich-Hirzebruch-Allee 7
53115 Bonn
Phone:
+49 228 73-69811
Office:
FHA7 3.003
E-Mail:
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Teaching
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.
Publications
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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
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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
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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
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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