|
1.
|
|
30 p, 6.7 MB |
Siesta : recent developments and applications
/
Garcia, Alberto (Institut de Ciència de Materials de Barcelona) ;
Papior, Nick (Technical University of Denmark) ;
Akhtar, Arsalan (Institut Català de Nanociència i Nanotecnologia) ;
Artacho, Emilio (CIC Nanogune BRTA) ;
Blum, Volker (Duke University) ;
Bosoni, Emanuele (Institut de Ciència de Materials de Barcelona) ;
Brandimarte Mendonça, Pedro (Donostia International Physics Center) ;
Brandbyge, Mads (Technical University of Denmark) ;
Cerdá, J. I. (Instituto de Ciencia de Materiales de Madrid) ;
Corsetti, F. (CIC Nanogune BRTA) ;
Cuadrado, Ramón (Institut Català de Nanociència i Nanotecnologia) ;
Dikan, Vladimir (Institut de Ciència de Materials de Barcelona) ;
Ferrer, J. (Universidad de Oviedo) ;
Gale, Julian (Curtin University) ;
García-Fernández, P. (Universidad de Cantabria) ;
García-Suárez, V. M. (Universidad de Oviedo) ;
García, Sandra (Institut Català de Nanociència i Nanotecnologia) ;
Huhs, Georg (Barcelona Supercomputing Center) ;
Illera, Sergio (Institut Català de Nanociència i Nanotecnologia) ;
Korytár, R. (Charles University) ;
Koval, Peter (Tolosa Hiribidea) ;
Lebedeva, Irina S (CIC Nanogune BRTA) ;
Lin, Lin (University of California) ;
López-Tarifa, P. (Centro de Física de Materiales) ;
Mayo, S. G. (Departamento de Física de la Materia Condensada) ;
Mohr, S. (Barcelona Supercomputing Center) ;
Ordejon, Pablo (Institut Català de Nanociència i Nanotecnologia) ;
Postnikov, A. (LCP-A2MC) ;
Pouillon, Y. (Universidad de Cantabria) ;
Pruneda, Miguel (Institut Català de Nanociència i Nanotecnologia) ;
Robles, R. (Centro de Física de Materiales. Centro Mixto) ;
Sanchez-Portal, Daniel (Donostia International Physics Center) ;
Soler Torroja, José M. (Departamento de Física de la Materia Condensada) ;
Ullah, R. (CIC Nanogune BRTA) ;
Yu, V. W. Z. (Duke University) ;
Junquera, J. (Universidad de Cantabria)
A review of the present status, recent enhancements, and applicability of the Siesta program is presented. Since its debut in the mid-1990s, Siesta's flexibility, efficiency, and free distribution have given advanced materials simulation capabilities to many groups worldwide. [...]
2020 -  10.1063/5.0005077
Journal of chemical physics, Vol. 152, Issue 20 (May 2020) , art. 204108
|
|
|
2.
|
|
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
|
|
|
3.
|
|
15 p, 11.6 MB |
A tunable electronic beam splitter realized with crossed graphene nanoribbons
/
Brandimarte Mendonça, Pedro (Centro de Física de Materiales) ;
Engelund, Mads (Centro de Física de Materiales) ;
Papior, Nick (Institut Català de Nanociència i Nanotecnologia) ;
Garcia-Lekue, Aran (Basque Foundation for Science) ;
Frederiksen, Thomas (Basque Foundation for Science) ;
Sanchez-Portal, Daniel (Donostia International Physics Center)
Graphene nanoribbons (GNRs) are promising components in future nanoelectronics due to the large mobility of graphene electrons and their tunable electronic band gap in combination with recent experimental developments of on-surface chemistry strategies for their growth. [...]
2017 - 10.1063/1.4974895
Journal of chemical physics, Vol. 146, Issue 9 (March 2017) , art. 92318
|
|
|
4.
|
|
guest ::
email alert
or subscribe to the 
RSS feed.
