AIMS Group Publications

Selected publications:

Latest:

  • Tomas Lazauskas, Alexey A. Sokol, John Buckeridge, C. Richard A. Catlow, Susanne Gudrun Elisabeth Thea Escher, Matthew R. Farrow, David Mora-Fonz, Volker Blum, Tshegofatso Phaahla, Hasani Chauke, Phuti E. Ngoepe, Scott Marcus Woodley
    Thermodynamically Accessible Titanium Clusters TiN, N=2-32
    Physical Chemistry Chemical Physics 20, 13962-13973 (2018). DOI: 10.1039/C8CP00406D
  • Victor Wen-zhe Yu, Fabiano Corsetti, Alberto Garcia, William P. Huhn, Mathias Jacquelin, Weile Jia, Björn Lange, Lin Lin, Jianfeng Lu, Wenhui Mi, Ali Seifitokaldani, Alvaro Vazquez-Mayagoitia, Chao Yang, Haizhao Yang, Volker Blum
    ELSI: A Unified Software Interface for Kohn-Sham Electronic Structure Solvers
    Computer Physics Communications 222, 267-285 (2018), DOI: 10.1016/j.cpc.2017.09.007 .
    Preprint: arXiV:1705.11191 [physics.comp-ph].
  • Markus Sinstein, Christoph Scheurer, Sebastian Matera, Volker Blum, Karsten Reuter and Harald Oberhofer
    An efficient implicit solvation method for full potential DFT
    Journal of Chemical Theory and Computation 13, 5582-5603 (2017). DOI: 10.1021/acs.jctc.7b00297 .
  • Kurt Lejaeghere, Gustav Bihlmayer, Torbjörn Björkman, Peter Blaha, Stefan Blügel, Volker Blum, Damien Caliste, Ivano E. Castelli, Stewart J. Clark, Andrea Dal Corso, Stefano de Gironcoli, Thierry Deutsch, John Kay Dewhurst, Igor Di Marco, Claudia Draxl, Marcin Dułak, Olle Eriksson, Jose A. Flores-Livas, Kevin F. Garrity, Luigi Genovese, Paolo Giannozzi, Matteo Giantomassi, Stefan Goedecker, Xavier Gonze, Oscar Granäs, E. K. U. Gross, Andris Gulans, Francois Gygi, D. R. Hamann, Phil J. Hasnip, N. A. W. Holzwarth, Diana Iusan, Dominik B. Jochym, Francois Jollet, Daniel Jones, Georg Kresse, Klaus Koepernik, Emine Kücükbenli, Yaroslav O. Kvashnin, Inka L. M. Locht, Sven Lubeck, Martijn Marsman, Nicola Marzari, Ulrike Nitzsche, Lars Nordström, Taisuke Ozaki, Lorenzo Paulatto, Chris J. Pickard, Ward Poelmans, Matt I. J. Probert, Keith Refson, Manuel Richter, Gian-Marco Rignanese, Santanu Saha, Matthias Scheffler, Martin Schlipf, Karlheinz Schwarz, Sangeeta Sharma, Francesca Tavazza, Patrik Thunström, Alexandre Tkatchenko, Marc Torrent, David Vanderbilt, Michiel J. van Setten, Veronique Van Speybroeck, John M. Wills, Jonathan R. Yates, Guo-Xu Zhang, Stefaan Cottenier,
    Reproducibility in density-functional theory calculations of solids
    Science 351 (2016), DOI: 10.1126/science.aad3000 .

Click here for a full list of VB's publications, (roughly) by subject