Marc Amkreutz

Atomistic simulations of complex materials: ground-state and excited-state properties

Thomas Frauenheim, Gotthard Seifert, Marcus Elstner et al. · Journal of Physics Condensed Matter · 2002 · 543 citations

Electronic Spin Densities, Localized Excited State, Excited-state Properties +17

Structure and elastic properties of amorphous silicon carbon nitride films

G. Lehmann, Peter Hess, Jih‐Jen Wu et al. · Physical review. B, Condensed matter · 2001 · 60 citations

Materials Science, Materials Engineering, Carbon Content +13

Determining the structure of α-phenylethyl isocyanide in chloroform by VCD spectroscopy and DFT calculations—simple case or challenge?

Christian Merten, Marc Amkreutz, Andreas Hartwig · Physical Chemistry Chemical Physics · 2010 · 38 citations

Engineering, Organic Chemistry, Computational Chemistry +16

Predicting Water Sorption and Volume Swelling in Dense Polymer Systems via Computer Simulation

Henning Hörstermann, Reinhard Hentschke, Marc Amkreutz et al. · The Journal of Physical Chemistry B · 2010 · 37 citations

Engineering, Mechanical Engineering, Chemistry +20

Computational Studies on Polymer Adhesion at the Surface of γ-Al₂O₃. I. The Adsorption of Adhesive Component Molecules from the Gas Phase

Jan M. Knaup, Christof Köhler, Thomas Frauenheim et al. · The Journal of Physical Chemistry B · 2006 · 37 citations