Andreas Köster

  • Citations Per Year
Learn More
AIMS Human stresscopin is a corticotropin-releasing factor (CRF) type 2 receptor (CRFR2) selective agonist and a member of the CRF peptide family. Stimulation of CRFR2 improves cardiac output and left ventricular ejection fraction (LVEF) in patients with stable heart failure (HF) with reduced LVEF. We examined the safety, pharmacokinetics, and effects on(More)
This work presents the molecular simulation program ms2 that is designed for the calculation of thermodynamic properties of bulk fluids in equilibrium consisting of small electro-neutral molecules. ms2 features the two main molecular simulation techniques, molecular dynamics (MD) and Monte-Carlo. It supports the calculation of vapor-liquid equilibria of(More)
A new version release (2.0) of the molecular simulation tool ms2 [S. Deublein, B. Eckl, J. Stoll, S. V. Lishchuk, G. Guevara-Carrion, C. W. Glass, T. Merker, M. Bernreuther, H. Hasse, J. Vrabec, Comput. Phys. Commun. 182 (2011) 2350] is presented. Version 2.0 features a hybrid parallelization based on MPI and OpenMP for molecular dynamics simulation to(More)
Thermodynamic properties are often modeled by classical force fields which describe the interactions on the atomistic scale. Molecular simulations are used for retrieving thermodynamic data from such models, and many simulation techniques and computer codes are available for that purpose. In the present round robin study, the following fundamental question(More)
The Lennard-Jones potential is used to study the high density fluid and face centered cubic solid state region, including solid-fluid equilibria. Numerous thermodynamic properties are considered, elucidating the behavior of matter in this poorly studied region. The present molecular simulation results are extensively compared to the latest and most accurate(More)
The Grüneisen parameter γG is widely used for studying thermal properties of solids at high pressure and also has received increasing interest in different applications of non-ideal fluid dynamics. Because there is a lack of systematic studies of the Grüneisen parameter in the entire fluid region, this study aims to fill this gap. Grüneisen parameter data(More)
not available. Sat, Apr 22 10:15 0:35 Tom Ziegler The application of TDDFT to systems with a spin or space degenerate ground state Tom Ziegler, Mike Seth, and Fan Wang. Department of Chemistry, University of Calgary University Drive 2500, University of Calgary, 2500 University Drive, Calgary, AB T2N 1N4, Canada Ordinary time-dependent density functional(More)
The accuracy of water models derived from ab initio molecular dynamics simulations by means on an improved force-matching scheme is assessed for various thermodynamic, transport, and structural properties. It is found that although the resulting force-matched water models are typically less accurate than fully empirical force fields in predicting(More)
  • 1