Magnetic properties and diffusion of adatoms on a graphene sheet PO Lehtinen, AS Foster, A Ayuela, A Krasheninnikov, K Nordlund, ...
Physical review letters 91 (1), 017202, 2003
580 2003 Structural properties of magnetic Heusler alloys A Ayuela, J Enkovaara, K Ullakko, RM Nieminen
Journal of Physics: Condensed Matter 11 (8), 2017, 1999
373 1999 First-principles study of substitutional metal impurities in graphene: structural, electronic and magnetic properties EJG Santos, A Ayuela, D Sánchez-Portal
New Journal of Physics 12 (5), 053012, 2010
301 2010 Coexistence of ferromagnetic and antiferromagnetic order in Mn-doped J Enkovaara, O Heczko, A Ayuela, RM Nieminen
Physical Review B 67 (21), 212405, 2003
297 2003 Elastic properties of the main species present in Portland cement pastes H Manzano, JS Dolado, A Ayuela
Acta materialia 57 (5), 1666-1674, 2009
286 2009 Magnetism of substitutional Co impurities in graphene: Realization of single EJG Santos, D Sánchez-Portal, A Ayuela
Physical Review B—Condensed Matter and Materials Physics 81 (12), 125433, 2010
240 2010 Ab initio study of tetragonal variantsin Ni2MnGa alloy A Ayuela, J Enkovaara, RM Nieminen
Journal of Physics: Condensed Matter 14 (21), 5325, 2002
210 2002 Structure, atomistic simulations, and phase transition of stoichiometric yeelimite A Cuesta, AG De la Torre, ER Losilla, VK Peterson, P Rejmak, A Ayuela, ...
Chemistry of Materials 25 (9), 1680-1687, 2013
167 2013 Mechanical properties of crystalline calcium‐silicate‐hydrates: comparison with cementitious C‐S‐H gels H Manzano, JS Dolado, A Guerrero, A Ayuela
physica status solidi (a) 204 (6), 1775-1780, 2007
161 2007 Adsorption and migration of carbon adatoms on carbon nanotubes: Density-functional ab initio and tight-binding studies AV Krasheninnikov, K Nordlund, PO Lehtinen, AS Foster, A Ayuela, ...
Physical Review B 69 (7), 073402, 2004
152 2004 Belite cements and their activation A Cuesta, A Ayuela, MAG Aranda
Cement and Concrete Research 140, 106319, 2021
148 2021 Universal magnetic properties of sp3-type defects in covalently functionalized graphene EJG Santos, A Ayuela, D Sánchez-Portal
New Journal of Physics 14 (4), 043022, 2012
135 2012 Magnetically driven shape memory alloys J Enkovaara, A Ayuela, AT Zayak, P Entel, L Nordström, M Dube, ...
Materials Science and Engineering: A 378 (1-2), 52-60, 2004
135 2004 First-principles investigation of phonon softenings and lattice instabilities in the shape-memory system Ni 2 MnGa AT Zayak, P Entel, J Enkovaara, A Ayuela, RM Nieminen
Physical Review B 68 (13), 132402, 2003
134 2003 Switching on magnetism in Ni-doped graphene: Density functional calculations EJG Santos, A Ayuela, SB Fagan, J Mendes Filho, DL Azevedo, ...
Physical Review B—Condensed Matter and Materials Physics 78 (19), 195420, 2008
128 2008 29 Si NMR in Cement: A Theoretical Study on Calcium Silicate HydratesP Rejmak, JS Dolado, MJ Stott, A Ayuela
The Journal of Physical Chemistry C 116 (17), 9755-9761, 2012
124 2012 Magnetic anisotropy in Ni 2 MnGa J Enkovaara, A Ayuela, L Nordström, RM Nieminen
Physical Review B 65 (13), 134422, 2002
121 2002 C62: theoretical evidence for a nonclassical fullerene with a heptagonal ring A Ayuela, PW Fowler, D Mitchell, R Schmidt, G Seifert, F Zerbetto
The Journal of Physical Chemistry 100 (39), 15634-15636, 1996
114 1996 First-principles investigations of homogeneous lattice-distortive strain and shufflesin Ni2MnGa AT Zayak, P Entel, J Enkovaara, A Ayuela, RM Nieminen
Journal of Physics: Condensed Matter 15 (2), 159, 2002
111 2002 Molecular orbital calculations on (MgO)n n + clusters (n =1–13) JM Recio, R Pandey, A Ayuela, AB Kunz
The Journal of chemical physics 98 (6), 4783-4792, 1993
106 1993 