Gábor Rutkai

University of Kaiserslautern — Germany

Engineering · Physical Sciences

18h-index1.2kcitations35works0.02yr avg
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Research Topics

Phase Equilibria and Thermodynamics(19), Spectroscopy and Quantum Chemical Studies(10), Thermodynamic properties of mixtures(9), Chemical Thermodynamics and Molecular Structure(9), Soil and Unsaturated Flow(6)

Publications35 total

Inhalt: Chem. Ing. Tech. 3/2018
Chemie Ingenieur Technik·2018Open Access
SkaSim – Scalable HPC Software for Molecular Simulation in the Chemical Industry
Chemie Ingenieur Technik·2018· 9 citedOpen Access
Simulation study of intercalation complexes of kaolinite with simple amides as primary intercalation reagents
Computational Materials Science·2017· 24 cited
<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" id="mml56" display="inline" overflow="scroll" altimg="si19.gif"><mml:mi>m</mml:mi><mml:mi>s</mml:mi><mml:mn>2</mml:mn></mml:math>: A molecular simulation tool for thermodynamic properties, release 3.0
Computer Physics Communications·2017· 88 citedOpen Access
Round Robin Study: Molecular Simulation of Thermodynamic Properties from Models with Internal Degrees of Freedom
Journal of Chemical Theory and Computation·2017· 74 cited
Equation of state for 1,2-dichloroethane based on a hybrid data set
Molecular Physics·2016· 17 cited
How well does the Lennard-Jones potential represent the thermodynamic properties of noble gases?
Molecular Physics·2016· 97 cited
Empirische Fundamentalgleichungen auf der Basis von molekularen Simulationen – Ein Überblick
Chemie Ingenieur Technik·2016· 1 cited
Comparative study of the Grüneisen parameter for 28 pure fluids
The Journal of Chemical Physics·2016· 43 cited
Thermodynamic Properties of Octamethylcyclotetrasiloxane
Journal of Chemical & Engineering Data·2016· 35 cited
Assessing the accuracy of improved force‐matched water models derived from <i>Ab initio</i> molecular dynamics simulations
Journal of Computational Chemistry·2016· 15 cited
Automatized determination of fundamental equations of state based on molecular simulations in the cloud
Fluid Phase Equilibria·2016· 8 cited
Equation of State for the Lennard-Jones Fluid
Journal of Physical and Chemical Reference Data·2016· 170 cited
Equation of state for 1,2-dichloroethane based on a hybrid data set
Figshare·2016Open Access
Stability of the kaolinite-guest molecule intercalation system: A molecular simulation study
Fluid Phase Equilibria·2015· 8 cited
Fundamental equation of state correlation for hexamethyldisiloxane based on experimental and molecular simulation data
Fluid Phase Equilibria·2015· 59 cited
Empirical Fundamental Equation of State for Phosgene Based on Molecular Simulation Data
Journal of Chemical & Engineering Data·2015· 14 cited
Empirical Fundamental Equations of State Correlations Based on Hybrid Datasets
Chemie Ingenieur Technik·2015· 1 cited
Corrigendum to ‘Fundamental equation of state for ethylene oxide based on a hybrid dataset’ [Journal of Chemical Engineering Science 121 (2015) 87–99]
Chemical Engineering Science·2015· 5 cited
Thermodynamic correlation of molecular simulation data
Molecular Physics·2015· 10 cited
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Frequent Co-authors

Jadran Vrabec(24), Andreas M. Köster(15), Monika Thol(13), Roland Span(12), Tamás Kristóf(12), Rolf Lustig(5), Colin W. Glass(5), Hans Hasse(5), Martin Bernreuther(4), Amer Wafai(4), Simon Stephan(4), Martin Horsch(4), Michael Schappals(3), Thorsten Windmann(3), Peter Klein(3), Zoltán Ható(3), Светлана Мирошниченко(3), Gabriela Guevara‐Carrion(2), Steffen Reiser(2), Stephan Deublein(2)