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Georg Huhs
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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
3062020
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
1322016
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
982017
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
632014
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
262020
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
192016
Unconventional Current Scaling and Edge Effects for Charge Transport through Molecular Clusters
V Obersteiner, G Huhs, NR Papior, E Zojer
Nano Letters, 2017
152017
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
82013
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
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Articles 1–11