SIESTA: recent developments and applications

Georg Huhs , Pablo López-Tarifa , Irina Lebedeva , Miguel Pruneda
arXiv: Computational Physics

183
2020
The CECAM electronic structure library and the modular software development paradigm

Emine Küçükbenli , Stefano de Gironcoli , Georg Huhs , Dominic Tildesley
Journal of Chemical Physics 153 ( 2) 024117

2
2020
First-principles multiscale modelling of charged adsorbates on doped graphene

Johannes Lischner , Fabiano Corsetti , Arash A Mostofi
2D Materials 4 ( 2) 025070

8
2017
Structural and configurational properties of nanoconfined monolayer ice from first principles.

Paul Matthews , Fabiano Corsetti , Emilio Artacho
Scientific Reports 6 ( 1) 18651 -18651

33
2016
A Multiscale Statistical Evaluation of DRAM Variable Retention Time

Soren Smidstrup , Pieter Vancraeyveld , Fabiano Corsetti , Xi-Wei Lin
ieee electron devices technology and manufacturing conference

2021
SIESTA-SIPs: Massively parallel spectrum-slicing eigensolver for an ab initio molecular dynamics package.

Carmen Campos , Jose E. Roman , Hong Zhang , Álvaro Vázquez-Mayagoitia
Journal of Computational Chemistry 39 ( 22) 1806 -1814

10
2018
The ONETEP linear-scaling density functional theory program.

Joseph C. A. Prentice , Jolyon Aarons , James C. Womack , Alice E. A. Allen
Journal of Chemical Physics 152 ( 17) 174111

96
2020
System-size convergence of point defect properties: The case of the silicon vacancy

Fabiano Corsetti , Arash A. Mostofi
Physical Review B 84 ( 3) 035209

85
2011
Electronic stopping power in a narrow band gap semiconductor from first principles

Rafi Ullah , Fabiano Corsetti , Daniel Sánchez-Portal , Emilio Artacho
Physical Review B 91 ( 12) 125203

46
2015
Enhanced Configurational Entropy in High-Density Nanoconfined Bilayer Ice.

Fabiano Corsetti , Jon Zubeltzu , Emilio Artacho
Physical Review Letters 116 ( 8) 085901 -085901

33
2016
Mechanical architecture and folding of E. coli type 1 pilus domains

Alvaro Alonso-Caballero , Jörg Schönfelder , Simon Poly , Fabiano Corsetti
Nature Communications 9 ( 1) 2758

20
2018
Effect of bilayer stacking on the atomic and electronic structure of twisted double bilayer graphene

Xia Liang , Zachary A. H. Goodwin , Valerio Vitale , Fabiano Corsetti
Physical Review B 102 ( 15) 155146

21
2020
Continuous melting through a hexatic phase in confined bilayer water.

Jon Zubeltzu , Fabiano Corsetti , M. V. Fernández-Serra , Emilio Artacho
Physical Review E 93 ( 6) 062137

12
2016
Optimal finite-range atomic basis sets for liquid water and ice

Fabiano Corsetti , M-V Fernández-Serra , José M Soler , Emilio Artacho
Journal of Physics: Condensed Matter 25 ( 43) 435504

26
2013
Knock-on damage in bilayer graphene: Indications for a catalytic pathway

Amaia Zurutuza , Emilio Artacho , Jon Zubeltzu , Andrey Chuvilin
Physical Review B 88 ( 24) 245407

11
2013
QuantumATK: an integrated platform of electronic and atomic-scale modelling tools.

Søren Smidstrup , Troels Markussen , Pieter Vancraeyveld , Jess Wellendorff
Journal of Physics: Condensed Matter 32 ( 1) 015901

773
2020
Attractive electron-electron interactions from internal screening in magic-angle twisted bilayer graphene

Zachary A. H. Goodwin , Fabiano Corsetti , Arash A. Mostofi , Johannes Lischner
Physical Review B 100 ( 23) 235424

16
2019
Critical role of device geometry for the phase diagram of twisted bilayer graphene

Zachary A. H. Goodwin , Valerio Vitale , Fabiano Corsetti , Dmitri K. Efetov
Physical Review B 101 ( 16) 165110

10
2020
Entropic bonding of the type 1 pilus from experiment and simulation.

Fabiano Corsetti , Alvaro Alonso-Caballero , Simon Poly , Raul Perez-Jimenez
Royal Society Open Science 7 ( 4) 200183

2020