Steady-state molecular dynamics simulation of supersaturated vapour near the spinodal line. Poster session during Nonequilibrium Statistical Mechanics and Nonlinear Physics (MEDYFINOL'08), Punta del Este, Uruguay, 1. Dezember 2008, 1312008. [PUMA: 2008 visus:horschmn sfb716 visus:vrabec sfb716-a vis(us) from:mueller]
Steady-state simulation of homogeneous vapor to liquid nucleation in the grand canonical ensemble “by the intervention of intelligent beings”. Poster session at Foundations of Molecular Modeling and Simulation (FOMMS) 2009, Blaine, WA, USA, 14. Juli 2009, 1312009. [PUMA: 2009 visus:horschmn sfb716 visus:vrabec sfb716-a vis(us) from:mueller]
Steady-state molecular dynamics simulation of vapour to liquid nucleation with McDonald's dæmon. Journal of Physical Studies (L'viv), 132009. [PUMA: 2009 visus:horschmn sfb716 visus:vrabec sfb716-a vis(us) from:mueller]
Grand canonical steady-state simulation of nucleation. The Journal of Chemical Physics, 1312009. [PUMA: 2009 visus:horschmn sfb716 visus:vrabec sfb716-a vis(us) from:mueller]
Contact angle dependence on the fluid-wall dispersive energy. Langmuir, 262010. [PUMA: visus:hartinjs visus:horschmn sfb716 visus:vrabec visus:dancn sfb716-a visus:hassehs vis(us) from:mueller 2010]
Research on the behavior of liquid fluids atop superhydrophobic gas-bubbled surfaces. In A. Kuzmin (Ed.): (Hrsg.), Sixth International Conference on Computational Fluid Dynamics, VVM Publishing Co., 2010. [PUMA: visus:horschmn sfb716 visus:vrabec sfb716-a vis(us) from:mueller 2010]
The air pressure effect on the homogeneous nucleation of carbon dioxide by molecular simulation. Atmospheric Research 101, 2011. [PUMA: visus:horschmn sfb716 visus:vrabec sfb716-a visus:hassehs vis(us) 2011 from:mueller]
Homogeneous nucleation in supersaturated vapors of methane, ethane, and carbon dioxide predicted by brute force molecular dynamics. Journal of Chemical Physics, (128)162008. [PUMA: 2008 visus visus:grottel vis-ertl visus:reina visus:horschmn visus:vrabec sfb716-d3 visus:hassehs vis(us) from:mueller visus:bernremn]
Molecular Dynamics and Experimental Study of Conformation Change of Poly(N-isopropylacrylamide)-hydrogels in Water. Fluid Phase Equilibria, 2010. [PUMA: visus:walterjn visus:vrabec visus:hassehs vis(us) from:mueller 2010 sfb716-a4] URL
Development of Models for Large Molecules and Electrolytes in Solution for Process Engineering. In W. E. Nagel, D. B. Kröner, und M. M. Resch (Hrsg.), High Performance Computing in Science and Engineering '09, Springer, 2010. [PUMA: visus:walterjn visus:vrabec visus:hassehs vis(us) from:mueller 2010 sfb716-a4]
A Systematic Approach to Combination Rules: Unlike Lennard-Jones Parameters for Vapor-Liquid Equilibria. 2008. [PUMA: 2008 visus:vrabec visus:hassehs vis(us) from:mueller sfb716-a4]
Industrial Fluid Property Challenge: Thermo-Physical Properties for Process Engineering Applications from Molecular Simulation. 2008. [PUMA: 2008 visus:vrabec visus:hassehs vis(us) from:mueller sfb716-a4]
Prädiktive Molekulare Simulation thermodynamischer Eigenschaften realer sicherheitsrelevanter Reinstoffe und Mischungen. 2008. [PUMA: 2008 visus:vrabec visus:hassehs vis(us) from:mueller sfb716-a4]
Transportkoeffizienten von Alkoholen und Wasser: Molekulare Simulation und Messungen mit der Taylor-Dispersions Methode. 2008. [PUMA: 2008 visus:vrabec visus:hassehs vis(us) from:mueller sfb716-a4]
Anwendung molekularer Methoden zur Vorhersage thermophysikalischer Stoffdaten am Beispiel Ethylenoxid. 2008. [PUMA: 2008 visus:vrabec visus:hassehs vis(us) from:mueller sfb716-a4]
Set of molecular models based on quantum mechanical ab initio calculations and thermodynamic data. Journal of Physical Chemistry B, (112)402008. [PUMA: 2008 visus:vrabec visus:hassehs vis(us) from:mueller sfb716-a4] URL
Prediction of Transport Properties by Molecular Simulation. Journal of Physical Chemistry B, (112)512008. [PUMA: 2008 visus:vrabec visus:hassehs vis(us) from:mueller sfb716-a4] URL
Molekulare Modelle H-Brücken bildender Fluide: Entwicklung und Validierung anhand thermodynamischer und NMR-Daten. 2007. [PUMA: 2007 visus:vrabec visus:hassehs vis(us) from:mueller sfb716-a4]
Molecular models of hydrogen bonding fluids: development and validation using thermodynamic and NMR-data. 2007. [PUMA: 2007 visus:vrabec visus:hassehs vis(us) from:mueller sfb716-a4]
Molekulare Modellierung und Simulation für das Prozessdesign. 2007. [PUMA: 2007 visus:vrabec visus:hassehs vis(us) from:mueller sfb716-a4]