Materials Databases

Publications

  1. “Band gap prediction for large organic crystal structures with machine learning”
    Bart Olsthoorn, R. Matthias Geilhufe, Stanislav S. Borysov, Alexander V. Balatsky
    arXiv:1810.12814
  2. “Online Search Tool for Graphical Patterns in Electronic Band Structures”
    Stanislav S. Borysov, Bart Olsthoorn, M. Berk Gedik, R. Matthias Geilhufe, Alexander V. Balatsky
    Npj Computational Materials 4, 46 (2018)
    arXiv:1710.11611
  3. “Towards novel organic high-Tc superconductors: Data mining using density of states similarity search” R. Matthias Geilhufe, Stanislav S. Borysov, Dmytro Kalpakchi, and Alexander V. Balatsky
    Phys. Rev. Materials 2, 024802 (2018)                                                                                                              arXiv:1709.03151
  4. “Structural and electronic properties of α,β-(BEDT-TTF)2I3 and κ-(BEDT-TTF)2X3 (X=I,F,Br,Cl) organic charge transfer salts”
    Benjamin Commeau, R. Matthias Geilhufe, Gayanath W. Fernando, Alexander V. Balatsky
    Phys. Rev. B 96, 125135 (2017)
    arXiv:1705.10772
  5. “Combining electronic structure and many-body theory with large data-bases: a method for predicting the nature of 4f states in Ce compounds”
    Heike. C. Herper, Towfiq. Ahmed, John. M. Wills, Igor Di Marco, T. Björkman, Diana Iuşan, Alexander. V. Balatsky, Olle Eriksson
    Phys. Rev. Materials 1, 033802 (2017)
    arXiv:1705.10674
  6. “Data Mining for Three-Dimensional Organic Dirac Materials: Focus on Space Group 19”
    R. Matthias Geilhufe, Stanislav S. Borysov, Adrien Bouhon, Alexander V. Balatsky
    Sci. Rep. 7(1), 7298 (2017)
    arXiv:1611.04316
  7. “Organic materials database: An open-access online database for data mining”
    Stanislav S. Borysov, R. Matthias Geilhufe, Alexander V. Balatsky
    PLOS ONE 12(2): e0171501 (2017)
  8. “Three-dimensional organic Dirac-line materials due to nonsymmorphic symmetry: A data mining approach”
    R. Matthias Geilhufe, Adrien Bouhon, Stanislav S. Borysov, and Alexander V. Balatsky
    Phys. Rev. B 95, 041103(R) (2017)
    arXiv:1610.07815