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

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Projects 1998 2021

Research Output 1990 2019

2 Citations (Scopus)

Advances, Updates, and Analytics for the Computation-Ready, Experimental Metal-Organic Framework Database: CoRE MOF 2019

Chung, Y. G., Haldoupis, E., Bucior, B. J., Haranczyk, M., Lee, S., Zhang, H., Vogiatzis, K. D., Milisavljevic, M., Ling, S., Camp, J. S., Slater, B., Siepmann, J. I., Sholl, D. S. & Snurr, R. Q., Jan 1 2019, In : Journal of Chemical and Engineering Data.

Research output: Contribution to journalArticle

Metals
Physical properties
Crystal structure
Topology
Crystals

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

Minkara, M. S., Hembree, R. H., Jamadagni, S. N., Ghobadi, A. F., Eike, D. M. & Siepmann, J. 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, J. 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
3 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, J. 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

Computational screening of metal-organic frameworks for biogas purification

Demir, H., Cramer, C. J. & Siepmann, J. I., Dec 2019, In : Molecular Systems Design and Engineering. 4, 6, p. 1125-1135 11 p.

Research output: Contribution to journalArticle

Biofuels
Biogas
Purification
Screening
Metals