Assessing the Perdew-Burke-Ernzerhof exchange-correlation density functional revised for metallic bulk and surface systems M Ropo, K Kokko, L Vitos
Physical Review B—Condensed Matter and Materials Physics 77 (19), 195445, 2008
222 2008 High temperature oxidation of Fe–Al and Fe–Cr–Al alloys: The role of Cr as a chemically active element E Airiskallio, E Nurmi, MH Heinonen, IJ Väyrynen, K Kokko, M Ropo, ...
Corrosion Science 52 (10), 3394-3404, 2010
201 2010 Accurate localized resolution of identity approach for linear-scaling hybrid density functionals and for many-body perturbation theory AC Ihrig, J Wieferink, IY Zhang, M Ropo, X Ren, P Rinke, M Scheffler, ...
New Journal of Physics 17 (9), 093020, 2015
160 2015 Atomic and electronic structures of an extremely fragile liquid S Kohara, J Akola, L Patrikeev, M Ropo, K Ohara, M Itou, A Fujiwara, ...
Nature communications 5, 5892, 2014
96 2014 First-principles data set of 45,892 isolated and cation-coordinated conformers of 20 proteinogenic amino acids M Ropo, M Schneider, C Baldauf, V Blum
Scientific data 3, 160009, 2016
64 2016 Segregation at the PdAg (111) surface: Electronic structure calculations M Ropo, K Kokko, L Vitos, J Kollár
Physical Review B—Condensed Matter and Materials Physics 71 (4), 045411, 2005
63 2005 Theoretical evidence of the compositional threshold behavior of FeCr surfaces M Ropo, K Kokko, MPJ Punkkinen, S Hogmark, J Kollár, B Johansson, ...
Physical Review B—Condensed Matter and Materials Physics 76 (22), 220401, 2007
55 2007 Coexisting honeycomb and kagome characteristics in the electronic band structure of molecular graphene S Paavilainen, M Ropo, J Nieminen, J Akola, E Räsänen
Nano letters 16 (6), 3519-3523, 2016
49 2016 Anomalous Bismuth-Stabilized ( P Laukkanen, MPJ Punkkinen, HP Komsa, M Ahola-Tuomi, K Kokko, ...
Physical review letters 100 (8), 086101, 2008
45 2008 Ab initio study of the elastic anomalies in Pd-Ag alloysEK Delczeg-Czirjak, L Delczeg, M Ropo, K Kokko, MPJ Punkkinen, ...
Physical Review B—Condensed Matter and Materials Physics 79 (8), 085107, 2009
42 2009 Bismuth-stabilized MPJ Punkkinen, P Laukkanen, HP Komsa, M Ahola-Tuomi, N Räsänen, ...
Physical Review B—Condensed Matter and Materials Physics 78 (19), 195304, 2008
42 2008 The chemical potential in surface segregation calculations: AgPd alloys M Ropo, K Kokko, L Vitos, J Kollár, B Johansson
Surface science 600 (4), 904-913, 2006
38 2006 Trends for isolated amino acids and dipeptides: Conformation, divalent ion binding, and remarkable similarity of binding to calcium and lead M Ropo, V Blum, C Baldauf
Scientific reports 6, 35772, 2016
36 2016 First-principles atomistic study of surfaces of Fe-rich Fe–Cr M Ropo, K Kokko, E Airiskallio, MPJ Punkkinen, S Hogmark, J Kollár, ...
Journal of Physics: Condensed Matter 23 (26), 265004, 2011
34 2011 Segregation, precipitation, and A Kuronen, S Granroth, MH Heinonen, RE Perälä, T Kilpi, P Laukkanen, ...
Physical Review B 92 (21), 214113, 2015
29 2015 Segregation, precipitation, and A Kuronen, S Granroth, MH Heinonen, RE Perälä, T Kilpi, P Laukkanen, ...
Physical Review B 92 (21), 214113, 2015
29 2015 Third element effect in the surface zone of Fe-Cr-Al alloys E Airiskallio, E Nurmi, MH Heinonen, IJ Väyrynen, K Kokko, M Ropo, ...
Physical Review B—Condensed Matter and Materials Physics 81 (3), 033105, 2010
26 2010 Ab initio study of the geometric dependence of M Ropo
Physical Review B—Condensed Matter and Materials Physics 74 (19), 195401, 2006
26 2006 Surface core-level shifts of MPJ Punkkinen, P Laukkanen, K Kokko, M Ropo, M Ahola-Tuomi, ...
Physical Review B—Condensed Matter and Materials Physics 76 (11), 115334, 2007
25 2007 Crystallization of supercooled liquid antimony: A density functional study M Ropo, J Akola, RO Jones
Physical Review B 96 (18), 184102, 2017
23 2017 