| 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 | 223 | 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 | 202 | 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 | 153 | 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 | 97 | 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 | 65 | 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 | 62 | 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 | 48 | 2016 |
| Anomalous Bismuth-Stabilized () Reconstructions on GaAs(100) and InP(100) Surfaces 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 alloys EK 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 and reconstructions on GaAs(100) surfaces: Combined first-principles, photoemission, and scanning tunneling microscopy study 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 | 37 | 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 | 35 | 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 phase separation in Fe-Cr alloys A Kuronen, S Granroth, MH Heinonen, RE Perälä, T Kilpi, P Laukkanen, ... Physical Review B 92 (21), 214113, 2015 | 29 | 2015 |
| Segregation, precipitation, and phase separation in Fe-Cr alloys A Kuronen, S Granroth, MH Heinonen, RE Perälä, T Kilpi, P Laukkanen, ... Physical Review B 92 (21), 214113, 2015 | 29 | 2015 |
| Ab initio study of the geometric dependence of surface segregation M Ropo Physical Review B—Condensed Matter and Materials Physics 74 (19), 195401, 2006 | 26 | 2006 |
| 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 | 25 | 2010 |
| Surface core-level shifts of from first principles 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 |
