von Neumann’s trace inequality for Hilbert–Schmidt operators

von Neumann’s inequality in matrix theory refers to the fact that the Frobenius scalar product of two matrices is less than or equal to the scalar product of the respective singular values. Moreover, equality can only happen if the two matrices share a joint set of singular vectors, and this latter part is hard to find in the literature. We extend these facts to the separable Hilbert space setting, and provide a self-contained proof of the “latter part”.     

PTML modeling for peptide discovery: in silico design of non-hemolytic peptides with antihypertensive activity

Molecular Diversity - Hypertension is a medical condition that affects millions of people worldwide. Despite the high efficacy of the current antihypertensive drugs, they are associated with...     

Bubble point pressure estimates from Gibbs ensemble simulations

Bubble pressure points of ethanol–1,1,1,2,3,3,3-heptafluoropropane (HFC-227ea refrigerant) mixtures from the third Industrial Fluid Properties Simulation Challenge are computed using publicly available molecular simulation software. Several published force fields are compared against the known answers provided in the contest guidelines and the best force fields are used to make predictions for the unknown results.     

Synthese und Eigenschaften von Sr3Mo1.5Zn0.5O7‐δ, einer Phase mit perowskitverwandter Schichtstruktur

Synthesis and Properties of the Layered Perovskite Phase Sr₃Mo_1.5Zn_0.5O_7‐δ The new layered perovskite phase Sr₃Mo_1.5Zn_0.5O_7‐δ was synthesized by solid state reaction using a Zn/ZnO oxygen buffer. The crystal structure was refined from X‐ray powder pattern by the Rietveld method. The compound crystallizes tetragonal in the space group I4/mmm (no. 139) with the lattice parameters a = 3.9631(3) Å, c = 20.583(1) Å. An oxygen deficiency corresponding to δ ≈ 0.25 was determinated, indicating the presence of molybdenum in mixed valence (Mo⁴⁺ and Mo⁶⁺).     

Resonance multiplicities in a hadron transport approach

In this article we focus on the multiplicities of resonances, ratios of resonant over non-resonant states and rescattering processes in heavy ion collisions. Therefore we utilize a hadron transport model (UrQMD v1.3). We find that rescattering of decay particles is of great importance when studying resonances in a hadronic medium.     

Boundary behavior in Hilbert spaces of vector-valued analytic functions

In this paper we study the boundary behavior of functions in Hilbert spaces of vector-valued analytic functions on the unit disc D. More specifically, we give operator-theoretic conditions on Mz, where Mz denotes the operator of multiplication by the identity function on D, that imply that all functions in the space have non-tangential limits a.e., at least on some subset of the boundary. The main part of the article concerns the extension of a theorem by Aleman, Richter and Sundberg in [A. Aleman, S. Richter, C. Sundberg, Analytic contractions and non-tangential limits, Trans. Amer. Math. Soc. 359 (2007)] to the case of vector-valued functions.