Auflistung nach Autor "Comba, Peter"

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  • Empirical Charge Scheme for Transition Metals and Lanthanoids: Development and Applications 
    Martin, Bodo R.; Comba, Peter (2018-08-14)
    Parameters for the fluctuating charge model are derived for In(III), La(III), Lu(III) and Bi(III), based on x-ray structural data and DFT single point calculations. A number of density partitioning schemes is tested.
  • Proceedings of the 4th bwHPC Symposium 
    Krüger, Jens; Walter, Thomas; Górska, Anna; Peter, Silke; Willmann, Matthias; Schlaberg, Robert; Martin, Bodo R.; Comba, Peter; Huson, Daniel; Schäfer, Christoph M.; Maindl, Thomas I.; Burger, Christoph; Wandel, Oliver J.; Bartusch, Felix; Hanussek, Maximilian; Witte, Irene; Streck, Thilo; Kratzke, Jonas; Heuveline, Vincent; Heidecker, Christoph; Giffels, Manuel; Quast, Günter; Rabbertz, Klaus; Schnepf, Matthias; Baumann, Martin; Mattes, Oliver; Richling, Sabine; Siebler, Sven; Janczyk, Michael; Wiebelt, Bernd; von Suchodoletz, Dirk; Renze, Peter; Kley, Wilhelm; Stoll, Moritz H.R.; Picogna, Giovanni (2018-08-08)
    The bwHPC Symposium 2017 took place on October 4th, 2017, Alte Aula, Tübingen. It focused on the presentation of scientific computing projects as well as on the progress and the success stories of the bwHPC realization ...