Publications of Matti Ropo

All genres

Journal Article (6)

2016

Journal Article

Ropo, Matti, Volker Blum and Carsten Baldauf: Trends for isolated amino acids and dipeptides: Conformation, divalent ion binding, and remarkable similarity of binding to calcium and lead.

MPG.PuRe

DOI

publisher-version

pre-print

Journal Article

Ropo, Matti, Markus Schneider, Carsten Baldauf and Volker Blum: First-principles data set of 45,892 isolated and cation-coordinated conformers of 20 proteinogenic amino acids.

MPG.PuRe

DOI

publisher-version

2015

Journal Article

Ihrig, Arvid, Jürgen Wieferink, Igor Ying Zhang, Matti Ropo, Xinguo Ren, Patrick Rinke, Matthias Scheffler and Volker Blum: Accurate localized resolution of identity approach for linear-scaling hybrid density functionals and for many-body perturbation theory.

MPG.PuRe

DOI

publisher-version

2013

Journal Article

Pitkänen, H., M. Alatalo, A. Puisto, Matti Ropo, K. Kokko and L. Vitos: Ab initio study of the surface properties of austenitic stainless steel alloys.

MPG.PuRe

DOI

2011

Journal Article

Ropo, Matti, K. Kokko, E. Airiskallio, M.P.J. Punkkinen, S. Hogmark, J. Kollar, B. Johansson and L. Vitos: First-principles atomistic study of surfaces of Fe-rich Fe–Cr.

MPG.PuRe

DOI

2010

Journal Article

Airiskallio , E., E. Nurmi , M.H. Heinonen , I.J. Väyrynen , K. Kokko , Matti Ropo, M.P.J. Punkkinen , H. Pitkänen , M. Alatalo , J. Kollár , B. Johansson and L. Vitos : High temperature oxidation of Fe-Al and Fe-Cr-Al alloys: The role of Cr as a chemically active element.

MPG.PuRe

DOI

Conference Paper (1)

2014

Conference Paper

Baldauf, Carsten, Matti Ropo, Volker Blum and Matthias Scheffler: How mono-valent cations bend peptide turns and a first-principles database of amino acids and dipeptides.

(International Conference of Computational Methods in Sciences and Engineering 2014: (ICCMSE 2014), Athens, Greece, Apr 2014).

MPG.PuRe

DOI