Publications of Matti Ropo

Ropo, M.; Blum, V.; Baldauf, C.: Trends for isolated amino acids and dipeptides: Conformation, divalent ion binding, and remarkable similarity of binding to calcium and lead. Scientific Reports 6, 35772 (2016)

Ropo, M.; Schneider, M.; Baldauf, C.; Blum, V.: First-principles data set of 45,892 isolated and cation-coordinated conformers of 20 proteinogenic amino acids. Scientific Data 3, 160009 (2016)

Ihrig, A.; Wieferink, J.; Zhang, I. Y.; Ropo, M.; Ren, X.; Rinke, P.; Scheffler, M.; Blum, V.: Accurate localized resolution of identity approach for linear-scaling hybrid density functionals and for many-body perturbation theory. New Journal of Physics 17 (9), 093020 (2015)

Pitkänen, H.; Alatalo, M.; Puisto, A.; Ropo, M.; Kokko, K.; Vitos, L.: Ab initio study of the surface properties of austenitic stainless steel alloys. Surface Science 609, pp. 190 - 194 (2013)

Ropo, M.; Kokko, K.; Airiskallio, E.; Punkkinen, M. P. J.; Hogmark, S.; Kollar, J.; Johansson, B.; Vitos, L.: First-principles atomistic study of surfaces of Fe-rich Fe–Cr. Journal of Physics: Condensed Matter 23 (26), 265004 (2011)

Airiskallio , E.; Nurmi , E.; Heinonen , M.H.; Väyrynen , I.J.; Kokko , K.; Ropo, M.; Punkkinen , M.P.J.; Pitkänen , H.; Alatalo , M.; Kollár , J. et al.; Johansson , B.; Vitos , L.: High temperature oxidation of Fe-Al and Fe-Cr-Al alloys: The role of Cr as a chemically active element. Corrosion Science 52 (10), pp. 3394 - 3404 (2010)

Baldauf, C.; Ropo, M.; Blum, V.; Scheffler, M.: How mono-valent cations bend peptide turns and a first-principles database of amino acids and dipeptides. In: Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2014: (ICCMSE 2014), pp. 119 - 120 (Eds. Simos, T. E.; Kalogiratou, Z.; Monovasilis, T.). International Conference of Computational Methods in Sciences and Engineering 2014: (ICCMSE 2014), Athens, Greece, April 04, 2014 - April 07, 2014. AIP Publishing, Melville, NY (2014)