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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
equations of state
virial coefficients
1 Citation (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

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
Silicon Dioxide
Neural networks

Introducing JCED's Latin America Special Issue

Brennecke, J. F., Kofke, D. A., Kroon, M., Mathias, P. M., Sadowski, G., Siepmann, I. & Wu, J., May 9 2019, In : Journal of Chemical and Engineering Data. 64, 5, 1 p.

Research output: Contribution to journalEditorial

Metal-Organic Frameworks with Metal-Catecholates for O2/N2 Separation

Demir, H., Stoneburner, S. J., Jeong, W., Ray, D., Zhang, X., Farha, O. K., Cramer, C., Siepmann, I. & Gagliardi, L., May 23 2019, In : Journal of Physical Chemistry C. 123, 20, p. 12935-12946 12 p.

Research output: Contribution to journalArticle

Density functional theory
density functional theory
Binding energy