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Fingerprint The Fingerprint is created by mining the titles and abstracts of the person's research outputs and projects/funding awards to create an index of weighted terms from discipline-specific thesauri.

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Phase equilibria Chemical Compounds
Alkanes Chemical Compounds
Vapors Chemical Compounds
Liquids Chemical Compounds
simulation Physics & Astronomy
Water Chemical Compounds
Zeolites Chemical Compounds
field theory (physics) Physics & Astronomy

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Projects 1998 2021

Research Output 1990 2019

A new equation of state for homo-polymers in dissipative particle dynamics

Minkara, M. S., Hembree, R., Jamadagni, S. N., Ghobadi, A. F., Eike, D. M. & Siepmann, I., Mar 28 2019, In : Journal of Chemical Physics. 150, 12, 124104.

Research output: Contribution to journalArticle

Open Access
Equations of state
Polymers
equations of state
polymers
virial coefficients

Assessing the Quality of Molecular Simulations for Vapor-Liquid Equilibria: An Analysis of the TraPPE Database

Eggimann, B. L., Sun, Y., Dejaco, R. F., Singh, R., Ahsan, M., Josephson, T. R. & Siepmann, I., Jan 1 2019, (Accepted/In press) In : Journal of Chemical and Engineering Data.

Research output: Contribution to journalArticle

Phase equilibria
Molecular modeling
Vapor pressure
Compressibility
Data acquisition
2 Citations (Scopus)

Column selection for comprehensive two-dimensional liquid chromatography using the hydrophobic subtraction model

Lindsey, R. K., Eggimann, B. L., Stoll, D. R., Carr, P. W., Schure, M. R. & Siepmann, I., Mar 29 2019, In : Journal of Chromatography A. 1589, p. 47-55 9 p.

Research output: Contribution to journalArticle

Liquid chromatography
Liquid Chromatography
Screening
Intuition

Deep neural network learning of complex binary sorption equilibria from molecular simulation data

Sun, Y., Dejaco, R. F. & Siepmann, I., Jan 1 2019, In : Chemical Science. 10, 16, p. 4377-4388 12 p.

Research output: Contribution to journalArticle

Open Access
Zeolites
Sorption
Silicon Dioxide
Neural networks
Water

Editorial

Siepmann, I., Kofke, D. A. & Brennecke, J. F., Sep 12 2019, In : Journal of Chemical and Engineering Data. 64, 9, 1 p.

Research output: Contribution to journalEditorial