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4 Publications

2018 | Journal Article | LibreCat-ID: 23597
i-PI 2.0: A universal force engine for advanced molecular simulations
V. Kapil, M. Rossi, O. Marsalek, R. Petraglia, Y. Litman, T. Spura, B. Cheng, A. Cuzzocrea, R.H. Meißner, D.M. Wilkins, B.A. Helfrecht, P. Juda, S.P. Bienvenue, W. Fang, J. Kessler, I. Poltavsky, S. Vandenbrande, J. Wieme, C. Corminboeuf, T.D. Kühne, D.E. Manolopoulos, T.E. Markland, J.O. Richardson, A. Tkatchenko, G.A. Tribello, V. Van Speybroeck, M. Ceriotti, Computer Physics Communications (2018) 214–223.
LibreCat | DOI

2017 | Journal Article | LibreCat-ID: 13276
ms2: A Molecular Simulation Tool for Thermodynamic Properties, Release 3.0
G. Rutkai, A. Köster, G. Guevara-Carrion, T. Janzen, M. Schappals, C.W. Glass, M. Bernreuther, A. Wafai, S. Stephan, M. Kohns, S. Reiser, S. Deublein, M. Horsch, H. Hasse, J. Vrabec, Computer Physics Communications 221 (2017) 343–351.
LibreCat | DOI

2009 | Journal Article | LibreCat-ID: 18636
Efficient calculation of the Coulomb matrix and its expansion around k=0 within the FLAPW method
C. Friedrich, A. Schindlmayr, S. Blügel, Computer Physics Communications 180 (2009) 347–359.
LibreCat | Files available | DOI | WoS | arXiv

2007 | Journal Article | LibreCat-ID: 18595
Dielectric anisotropy in the GW space–time method
C. Freysoldt, P. Eggert, P. Rinke, A. Schindlmayr, R.W. Godby, M. Scheffler, Computer Physics Communications 176 (2007) 1–13.
LibreCat | Files available | DOI | WoS | arXiv

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