Jadran Vrabec
Jadran Vrabec
Professor for Thermodynamics, Technical University of Berlin
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Zitiert von
Zitiert von
Vapour liquid equilibria of the Lennard-Jones fluid from the NpT plus test particle method
A Lotfi, J Vrabec, J Fischer
Molecular Physics 76 (6), 1319-1333, 1992
A set of molecular models for symmetric quadrupolar fluids
J Vrabec, J Stoll, H Hasse
The Journal of Physical Chemistry B 105 (48), 12126-12133, 2001
An equation‐of‐state contribution for polar components: dipolar molecules
J Gross, J Vrabec
AIChE journal 52 (3), 1194-1204, 2006
Comprehensive study of the vapour–liquid coexistence of the truncated and shifted Lennard–Jones fluid including planar and spherical interface properties
J Vrabec, GK Kedia, G Fuchs, H Hasse
Molecular physics 104 (09), 1509-1527, 2006
Prediction of self-diffusion coefficient and shear viscosity of water and its binary mixtures with methanol and ethanol by molecular simulation
G Guevara-Carrion, J Vrabec, H Hasse
The Journal of chemical physics 134 (7), 074508, 2011
Molecular Dynamics and Experimental Study of Conformation Change of Poly(N-isopropylacrylamide) Hydrogels in Mixtures of Water and Methanol
J Walter, J Sehrt, J Vrabec, H Hasse
The Journal of Physical Chemistry B 116 (17), 5251-5259, 2012
A molecular simulation study of shear and bulk viscosity and thermal conductivity of simple real fluids
GA Fernandez, J Vrabec, H Hasse
Fluid phase equilibria 221 (1-2), 157-163, 2004
Grand Equilibrium: vapour-liquid equilibria by a new molecular simulation method
J Vrabec, H Hasse
Molecular Physics 100 (21), 3375-3383, 2002
Hydrogen Bonding of Methanol in Supercritical CO2:  Comparison between 1H NMR Spectroscopic Data and Molecular Simulation Results
T Schnabel, A Srivastava, J Vrabec, H Hasse
The Journal of Physical Chemistry B 111 (33), 9871-9878, 2007
Equation of state for the Lennard-Jones fluid
M Thol, G Rutkai, A Köster, R Lustig, R Span, J Vrabec
Journal of Physical and Chemical Reference Data 45 (2), 023101, 2016
ls1 mardyn: The Massively Parallel Molecular Dynamics Code for Large Systems
C Niethammer, S Becker, M Bernreuther, M Buchholz, W Eckhardt, ...
Journal of chemical theory and computation 10 (10), 4455-4464, 2014
Prediction of transport properties by molecular simulation: methanol and ethanol and their mixture
G Guevara-Carrion, C Nieto-Draghi, J Vrabec, H Hasse
The Journal of Physical Chemistry B 112 (51), 16664-16674, 2008
An accurate van der Waals-type equation of state for the Lennard-Jones fluid
M Mecke, A Müller, J Winkelmann, J Vrabec, J Fischer, R Span, ...
International journal of thermophysics 17, 391-404, 1996
ms2: A molecular simulation tool for thermodynamic properties
S Deublein, B Eckl, J Stoll, SV Lishchuk, G Guevara-Carrion, CW Glass, ...
Computer Physics Communications 182 (11), 2350-2367, 2011
Unlike Lennard–Jones parameters for vapor–liquid equilibria
T Schnabel, J Vrabec, H Hasse
Journal of Molecular Liquids 135 (1-3), 170-178, 2007
Molecular dynamics and experimental study of conformation change of poly (N-isopropylacrylamide) hydrogels in water
J Walter, V Ermatchkov, J Vrabec, H Hasse
Fluid Phase Equilibria 296 (2), 164-172, 2010
Vapor–liquid equilibria of mixtures containing nitrogen, oxygen, carbon dioxide, and ethane
J Stoll, J Vrabec, H Hasse
AIChE journal 49 (8), 2187-2198, 2003
Henry’s law constants of methane, nitrogen, oxygen and carbon dioxide in ethanol from 273 to 498 K: Prediction from molecular simulation
T Schnabel, J Vrabec, H Hasse
Fluid Phase Equilibria 233 (2), 134-143, 2005
Modification of the classical nucleation theory based on molecular simulation data for surface tension, critical nucleus size, and nucleation rate
M Horsch, J Vrabec, H Hasse
Physical Review E 78 (1), 011603, 2008
591 TFLOPS multi-trillion particles simulation on SuperMUC
W Eckhardt, A Heinecke, R Bader, M Brehm, N Hammer, H Huber, ...
Supercomputing: 28th International Supercomputing Conference, ISC 2013 …, 2013
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