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1.
27 p, 1.9 MB ABINIT : overview and focus on selected capabilities / Romero, Aldo (West Virginia University. Physics and Astronomy Department) ; Allan, Douglas (Corning Incorporated) ; Amadon, Bernard (Commissariat à l'Énergie Atomique et aux Énergies Alternatives (França)) ; Antonius, Gabriel (Université du Québec À Trois-Rivières) ; Applencourt, Thomas (Commissariat à l'Énergie Atomique et aux Énergies Alternatives (França)) ; Baguet, Lucas (Sorbonne Université) ; Bieder, Jordan (Université de Liège) ; Bottin, François (Commissariat à l'Énergie Atomique et aux Énergies Alternatives (França)) ; Bouchet, Johann (Commissariat à l'Énergie Atomique et aux Énergies Alternatives (França)) ; Bousquet, Eric (Université de Liège) ; Bruneval, Fabien (Université Paris-Saclay) ; Brunin, Guillaume (Institute of Condensed Matter and Nanoscience. UCLouvain) ; Caliste, Damien (University Grenoble Alpes) ; Côté, Michel (U. de Montréal) ; Denier, Jules (Commissariat à l'Énergie Atomique et aux Énergies Alternatives (França)) ; Dreyer, Cyrus (Center for Computational Quantum Physics. Flatiron Institute) ; Ghosez, Philippe (Université de Liège) ; Giantomassi, Matteo (European Theoretical Spectroscopy Facility) ; Gillet, Yannick (Institute of Condensed Matter and Nanoscience. UCLouvain) ; Gingras, Olivier (U. de Montréal) ; Hamann, Donald R. (Mat-Sim Research LLC) ; Hautier, Geoffroy (Institute of Condensed Matter and Nanoscience. UCLouvain) ; Jollet, François (Commissariat à l'Énergie Atomique et aux Énergies Alternatives (França)) ; Jomard, Gérald (CEA. DEN. DEC) ; Martin, Alexander (Université de Liège) ; Miranda, Henrique P. C. (Institute of Condensed Matter and Nanoscience. UCLouvain) ; Naccarato, Francesco (Institute of Condensed Matter and Nanoscience. UCLouvain) ; Petretto, Guido (Institute of Condensed Matter and Nanoscience. UCLouvain) ; Pike, N. A. (Université de Liège) ; Planes, Valentin (Commissariat à l'Énergie Atomique et aux Énergies Alternatives (França)) ; Prokhorenko, Sergei (Université de Liège) ; Rangel, Tonatiuh (Commissariat à l'Énergie Atomique et aux Énergies Alternatives (França)) ; Ricci, Fabio (Université de Liège) ; Rignanese, Gian-Marco (European Theoretical Spectroscopy Facility) ; Royo Valls, Miquel (Institut de Ciència de Materials de Barcelona) ; Stengel, Massimiliano (Institut de Ciència de Materials de Barcelona) ; Torrent, Marc (Commissariat à l'Énergie Atomique et aux Énergies Alternatives (França)) ; Van Setten, Michiel J. (IMEC) ; Van Troeye, Benoit (Rensselaer Polytechnic Institute) ; Verstraete, Matthieu J. (Institut Català de Nanociència i Nanotecnologia) ; Wiktor, Julia (Chalmers University of Technology) ; Zwanziger, J. W. (Dalhousie Univeristy) ; Gonze, Xavier (Skolkovo Institute of Science and Technology)
ABINIT is probably the first electronic-structure package to have been released under an open-source license about 20 years ago. It implements density functional theory, density-functional perturbation theory (DFPT), many-body perturbation theory (GW approximation and Bethe-Salpeter equation), and more specific or advanced formalisms, such as dynamical mean-field theory (DMFT) and the "temperature-dependent effective potential" approach for anharmonic effects. [...]
2020 - 10.1063/1.5144261
Journal of chemical physics, Vol. 152, Issue 12 (March 2020) , art. 124102  
2.
17 p, 989.4 KB The Steiner tree packing problem in VLSI design / Grötschel, Martin ; Martin, Alexander (Konrad-Zuse-Zentrum für Informationstechnik Berlin) ; Weismantel, Robert
In this paper we describe several versions of the routing problem arising in VLSI design and indicate how the Steiner tree packing problem can be used to model these problems mathematically. We focus on switchbox routing problems and provide integer programming formulations for routing in the knock-knee and in the Manhattan model. [...]
1997
Mathematical Programming, vol. 78 n. 2 (1997) p. 265-281  
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