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Ilja Siepmann

1990 …2021

Research output per year

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Projects

Collaborative Proposal: CSSI Software Framework: Building a Community-Based Molecular Modeling Capability Around the Molecular Simulation Design Framework (MoSDeF)

Siepmann, I.

National Science Foundation

10/1/18 → 9/30/21

Project: Research project

    • NMGC: Nanoporous Materials Genome: Methods and Software to Optimize Gas Storage, Separations, and Catalysis (Phase 2)

    Siepmann, I., Cramer, C., Gagliardi, L., Truhlar, D. G., Tsapatsis, M. & Goodpaster, J. D.

    United States Department of Energy

    9/1/17 → 8/31/21

    Project: Research project

    • Predicting turbulent multi-phase flows with high fidelit

    Mahesh, K. & Siepmann, I.

    USDOD NAVY

    8/1/17 → 7/31/21

    Project: Research project

    • Predictive Hierarchical Modeling of Chemical Separations

    Siepmann, I., Cramer, C., Gagliardi, L., Truhlar, D. G. & Tsapatsis, M.

    9/1/12 → 8/31/20

    Project: Research project

    MRSEC IRG-3: Hierarchical Multifunctional Macromolecular Materials

    Reineke, T. M., Bates, F. S., Dorfman, K., Dutcher, C. S., Hillmyer, M. A., Lodge, T. P., Morse, D. C., Siepmann, I., Barreda, L. & Ganewatta, M. S.

    1/1/98 → …

    Project: Research project

    Research Output

    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., Mar 12 2020, In : Journal of Chemical and Engineering Data. 65, 3, p. 1330-1344 15 p.

    Research output: Contribution to journal › Article

    • Vapor- and liquid-phase adsorption of alcohol and water in silicalite-1 synthesized in fluoride media

    DeJaco, R. F., Dorneles de Mello, M., Nguyen, H. G. T., Jeon, M. Y., van Zee, R. D., Tsapatsis, M. & Siepmann, J. I., Jan 1 2020, (Accepted/In press) In : AIChE Journal. e16868.

    Research output: Contribution to journal › Article

    • 2 Scopus citations

    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 journal › Article

    • 5 Scopus citations

    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 journal › Article

    Open Access

    • 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 journal › Article

    • 3 Scopus citations