Siesta: Recent developments and applications A García, N Papior, A Akhtar, E Artacho, V Blum, E Bosoni, P Brandimarte, ... The Journal of Chemical Physics 152 (20), 204108, 2020 | 369 | 2020 |
Challenges in large scale quantum mechanical calculations LE Ratcliff, S Mohr, G Huhs, T Deutsch, M Masella, L Genovese Wiley Interdisciplinary Reviews: Computational Molecular Science, 2016 | 154 | 2016 |
Towards efficient data exchange and sharing for big-data driven materials science: metadata and data formats LM Ghiringhelli, C Carbogno, S Levchenko, F Mohamed, G Huhs, ... npj Computational Materials 3 (1), 46, 2017 | 106 | 2017 |
SIESTA-PEXSI: massively parallel method for efficient and accurate ab initio materials simulation without matrix diagonalization L Lin, A García, G Huhs, C Yang Journal of Physics: Condensed Matter 26 (30), 305503, 2014 | 62 | 2014 |
The CECAM electronic structure library and the modular software development paradigm MJT Oliveira, N Papior, Y Pouillon, V Blum, E Artacho, D Caliste, ... The Journal of chemical physics 153 (2), 024117, 2020 | 29 | 2020 |
Towards a Common Format for Computational Material Science Data LM Ghiringhelli, C Carbogno, S Levchenko, F Mohamed, G Huhs, ... arXiv preprint arXiv:1607.04738, 2016 | 20 | 2016 |
Unconventional Current Scaling and Edge Effects for Charge Transport through Molecular Clusters V Obersteiner, G Huhs, NR Papior, E Zojer Nano Letters, 2017 | 17 | 2017 |
Impact of Vacancies on Diffusive and Pseudodiffusive Electronic Transport in Graphene A Cresti, T Louvet, F Ortmann, D Van Tuan, P Lenarczyk, G Huhs, ... Crystals 3 (2), 289-305, 2013 | 8 | 2013 |
MBPT calculations with ABINIT M Giantomassi, G Huhs, D Waroquiers, X Gonze APS Meeting Abstracts 1, 27009, 2014 | | 2014 |
Multi-Scale Modelling for Devices and Circuits F Ortmann, S Roche, JC Greer, G Huhs, X Oriols, T Shulthess, T Deutsch, ... E-Nano Newsletter, 2012 | | 2012 |
New implementations of the orbital minimization method in the SIESTA code F Corsetti, E Artacho, G Huhs, R Grima, JM Cela THURSDAY 10 JANUARY 2013, 0 | | |