QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials P Giannozzi, S Baroni, N Bonini, M Calandra, R Car, C Cavazzoni, ...
Journal of physics: Condensed matter 21 (39), 395502, 2009
29683 2009 Advanced capabilities for materials modelling with Quantum ESPRESSO P Giannozzi, O Andreussi, T Brumme, O Bunau, MB Nardelli, M Calandra, ...
Journal of physics: Condensed matter 29 (46), 465901, 2017
7625 2017 Atomically precise bottom-up fabrication of graphene nanoribbons J Cai, P Ruffieux, R Jaafar, M Bieri, T Braun, S Blankenburg, M Muoth, ...
Nature 466 (7305), 470-473, 2010
4058 2010 Atomic-scale structure and catalytic reactivity of the RuO2 (110) surface H Over, YD Kim, AP Seitsonen, S Wendt, E Lundgren, M Schmid, P Varga, ...
Science 287 (5457), 1474-1476, 2000
1085 2000 A review on silicene—new candidate for electronics A Kara, H Enriquez, AP Seitsonen, LCLY Voon, S Vizzini, B Aufray, ...
Surface science reports 67 (1), 1-18, 2012
933 2012 Structure, stability, edge states, and aromaticity of graphene ribbons T Wassmann, AP Seitsonen, AM Saitta, M Lazzeri, F Mauri
Physical review letters 101 (9), 096402, 2008
633 2008 Supramolecular control of the magnetic anisotropy in two-dimensional high-spin Fe arrays at a metal interface P Gambardella, S Stepanow, A Dmitriev, J Honolka, FMF De Groot, ...
Nature materials 8 (3), 189-193, 2009
333 2009 Structure and Dynamics of Liquid Water from ab Initio Molecular Dynamics Comparison of BLYP, PBE, and revPBE Density Functionals with and without van der Waals Corrections IC Lin, AP Seitsonen, I Tavernelli, U Rothlisberger
Journal of chemical theory and computation 8 (10), 3902-3910, 2012
327 2012 Molecular dynamics simulation of liquid water: hybrid density functionals T Todorova, AP Seitsonen, J Hutter, IFW Kuo, CJ Mundy
The Journal of Physical Chemistry B 110 (8), 3685-3691, 2006
300 2006 Clar’s theory, π-electron distribution, and geometry of graphene nanoribbons T Wassmann, AP Seitsonen, AM Saitta, M Lazzeri, F Mauri
Journal of the American Chemical Society 132 (10), 3440-3451, 2010
261 2010 Characterization of various oxygen species on an oxide surface: RuO2 (110) YD Kim, AP Seitsonen, S Wendt, J Wang, C Fan, K Jacobi, H Over, G Ertl
The Journal of Physical Chemistry B 105 (18), 3752-3758, 2001
258 2001 Boron nitride on Cu (111): an electronically corrugated monolayer S Joshi, D Ecija, R Koitz, M Iannuzzi, AP Seitsonen, J Hutter, H Sachdev, ...
Nano letters 12 (11), 5821-5828, 2012
255 2012 Importance of van der Waals interactions in liquid water IC Lin, AP Seitsonen, MD Coutinho-Neto, I Tavernelli, U Rothlisberger
The Journal of Physical Chemistry B 113 (4), 1127-1131, 2009
233 2009 Strain dependence of surface diffusion: Ag on Ag (111) and Pt (111) C Ratsch, AP Seitsonen, M Scheffler
Physical Review B 55 (11), 6750, 1997
231 1997 Oxidation of metal surfaces H Over, AP Seitsonen
Science 297 (5589), 2003-2005, 2002
227 2002 STM study of terephthalic acid self-assembly on Au (111): Hydrogen-bonded sheets on an inhomogeneous substrate S Clair, S Pons, AP Seitsonen, H Brune, K Kern, JV Barth
The Journal of Physical Chemistry B 108 (38), 14585-14590, 2004
212 2004 First-principles calculations of x-ray absorption in a scheme based on ultrasoft pseudopotentials: From C Gougoussis, M Calandra, AP Seitsonen, F Mauri
Physical Review B—Condensed Matter and Materials Physics 80 (7), 075102, 2009
198 2009 Electron-positron Car-Parrinello methods: Self-consistent treatment of charge densities and ionic relaxations MJ Puska, AP Seitsonen, RM Nieminen
Physical Review B 52 (15), 10947, 1995
180 1995 Boroxol Rings in Liquid and Vitreous G Ferlat, T Charpentier, AP Seitsonen, A Takada, M Lazzeri, L Cormier, ...
Physical review letters 101 (6), 065504, 2008
176 2008 Van der Waals effects in ab initio water at ambient and supercritical conditions R Jonchiere, AP Seitsonen, G Ferlat, AM Saitta, R Vuilleumier
The Journal of chemical physics 135 (15), 2011
170 2011 
