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Publications

2020 Publications

10. B. Gu, B. Cunningham, D. Munoz Santiburcio, F. Da Pieve, E. Artacho and J. Kohanoff
JOURNAL OF CHEMICAL PHYSICS 153, 34113 (2020)
Efficient ab initio calculation of electronic stopping in disordered systems via geometry pre-sampling: Application to liquid water

9. V. Lebedev, V. Lebedeva, A. Popov, A. Knizhnik, N. Poklonski and S. Vyrko
Physical Review B 102, 045418 (2020)
Universal description of potential energy surface of interlayer interaction in two-dimensional materials by first spatial Fourier harmonics
application/pdf Copyright by the American Physical Society. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the APS.

8. M. Oliveira, N. Papior, Y. Pouillon, V. Blum, E. Artacho, D. Caliste, F. Corsetti, S. de Gironcoli, A. Elena, A. Garcia, V. Garcia-Suarez, L. Genovese, W. Huhn, G. Huhs, S. Kokott, E. Kucukbenli, A. Larsen, A. Lazzaro, V. Lebedeva, Y. Li, D. Lopez-Duran, P. Lopez-Tarifa, M. Lueders, M. Marques, J. Minar, S. Mohr, A. Mostofi, A. O'Cais, M. Payne, T. Ruh, D. Smith, J. Soler, D. Strubbe, N. Tancogne-Dejean, D. Tildesley, M. Torrent and V. Yu
JOURNAL OF CHEMICAL PHYSICS 153, 24117 (2020)
The CECAM electronic structure library and the modular software development paradigm

7. D. Lopez Duran, E. Plésiat, M. Krompiec and E. Artacho Cortés
PLoS One 15, 1 (2020)
Gap variability upon packing in organic photovoltaics
application/pdf Copyright by PLoS One. This article may be downloaded for personal use only

6. A. García, N. Papior, A. Akhtar, E. Artacho Cortés, V. Blum, E. Bosoni, P. Brandimarte, M. Brandbyge, J. Cerdá, F. Corsetti, R. Cuadrado, V. Dikan, J. Ferrer, J. Gale, P. García-Fernández, V. García-Suárez, S. García, G. Huhs, S. Illera, R. Korytár, P. Koval, I. Lebedeva, L. Lin, P. López-Tarifa, S. G. Mayo, S. Mohr, P. Ordejón, A. Postnikov, Y. Pouillon, M. Pruneda, R. Robles, D. Sánchez-Portal, J. Soler, R. Ullah, V. Wen-zhe Yu and J. Junquera
JOURNAL OF CHEMICAL PHYSICS 152, 204108 (2020)
Siesta: Recent developments and applications

5. E. Oblak, P. Riego, A. Garcia-Manso, A. Martinez-de-Guerenu, F. Arizti, I. Artetxe and A. Berger
Journal of Physics D-Applied Physics 53, 205001 (2020)
Ultrasensitive transverse magneto-optical Kerr effect measurements using an effective ellipsometric detection scheme
application/pdf This is the author's version of the paper after peer review. Copyright by the Institute of Physics and the IOP Publishing Ltd

4. F. Corsetti, A. Alonso-Caballero, S. Poly, R. Perez-Jimenez and E. Artacho
Royal Society Open Science 7, 200183 (2020)
Entropic bonding of the type 1 pilus from experiment and simulation
application/pdf Copyright by the Royal Society Open Science. This article may be downloaded for personal use only

3. N. Koval, J. Juaristi, R. Muino and M. Alducin
Journal of Applied Physics 127, 145102 (2020)
Structure and properties of CoCrFeNiX multi-principal element alloys from ab initio calculations
application/pdf This is the author's version of the paper after peer review - Copyright by the American Institute of Physics. This article may be downloaded for personal use only

2. V. Lebedeva and A. Popov
Physical Review Letters 124, 116101 (2020)
Two Phases with Different Domain Wall Networks and a Reentrant Phase Transition in Bilayer Graphene under Strain
application/pdf Copyright by the American Physical Society. This article may be downloaded for personal use only

1. I. Lebedeva and A. Popov
Journal of Physical Chemistry C 124, 2120 (2020)
Energetics and Structure of Domain Wall Networks in Minimally Twisted Bilayer Graphene under Strain

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