Publications

Allendorf, M., Greathouse, J.A., Simmons, B., & Simmons, B. (2014). Creating a Discovery Platform for Confined-Space Chemistry and Materials: Metal-Organic Frameworks. 10.2172/1130392

Zeitler, T.R., Greathouse, J.A., Gale, J.D., Cygan, R.T., & Cygan, R.T. (2014). Vibrational analysis of brucite surfaces and the development of an improved force field for molecular simulation of interfaces. Journal of Physical Chemistry C, 118(15), pp. 7946-7953. https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84899007651&origin=inward

Gallis, D.F.S., Parkes, M.V., Greathouse, J.A., Rodriguez, M.A., Nenoff, T.M., & Nenoff, T.M. (2014). Efficient Air Separations with MOFs for CO2 Capture via Oxy-fuel Combustion [Conference]. https://www.osti.gov/biblio/1142535

Greathouse, J.A. (2014). Interaction of Natural Organic Matter with Layered Minerals: Recent Developments in Experimental and Computational Methods at the Nanoscale. Minerals, 4(2). https://doi.org/10.3390/min4020519

Cygan, R.T., Greathouse, J.A., & Greathouse, J.A. (2014). Vibrational Analysis of Brucite Surfaces and the Development of an Improved Force Field for Molecular Simulation of Interfaces. The Journal of Physical Chemistry. https://doi.org/10.1021/jp411092b

Parkes, M.V., Gallis, D.F.S., Greathouse, J.A., Nenoff, T.M., & Nenoff, T.M. (2014). Separating Air Using Metal-Organic Frameworks: Influence of the MOF Metal on Oxygen and Nitrogen Binding Energies [Conference]. https://www.osti.gov/biblio/1140649

Parkes, M.V., Teich-McGoldrick, S., Greathouse, J.A., Allendorf, M., & Allendorf, M. (2014). Molecular dynamics simulation of framework flexibility effects on noble gas diffusion in HKUST-1 and ZIF-8. Microporous and Mesoporous Materials, 194, pp. 190-199. 10.1016/j.micromeso.2014.03.027

Parkes, M.V., Gallis, D.F.S., Greathouse, J.A., Nenoff, T.M., & Nenoff, T.M. (2013). Separating Air Using Metal-Organic Frameworks: Influence of the MOF Metal on Oxygen and Nitrogen Binding Energies [Conference]. https://www.osti.gov/biblio/1122417

Robinson, A., Zeitler, T., Greathouse, J.A., Denning, J., Volponi, J.V., White, M.I., & White, M.I. (2013). Tunable Suite of Copper(II) Paddlewheel MOF Thin Films for Small-Molecule Chemical Detection. Advanced Functional Materials. https://www.osti.gov/biblio/1117608

Teich-McGoldrick, S., Greathouse, J.A., Allendorf, M., Parkes, M.V., & Parkes, M.V. (2013). Molecular dynamics simulation of framework flexibility effects on noble gas diffusion in HKUST-1 and ZIF-8. Microporous and Mesoporous Materials. https://www.osti.gov/biblio/1095824

Greathouse, J.A., Cygan, R.T., & Cygan, R.T. (2013). Heterogeneous nucleation of methane hydrates [Conference]. https://www.osti.gov/biblio/1095836

Greathouse, J.A., Teich-McGoldrick, S., Jove-Colon, C.F., Cygan, R.T., & Cygan, R.T. (2013). Molecular Simulation of Clay Hydration: Structure and Thermodynamics as a Function of Temperature and Pressure [Conference]. https://www.osti.gov/biblio/1095829

Greathouse, J.A. (2013). Contribution of Garrison Sposito to Clay Science [Conference]. https://www.osti.gov/biblio/1095822

Greathouse, J.A. (2013). Shedding Light on Solvated Surfaces and Interfaces [Presentation]. https://www.osti.gov/biblio/1673646

Greathouse, J.A., Nenoff, T.M., Gallis, D.F.S., Crozier, P., Rodriguez, M.A., & Rodriguez, M.A. (2013). Metal-organic Frameworks (MOFs) for Nuclear Applications [Conference]. https://www.osti.gov/biblio/1109058

Parkes, M.V., Greathouse, J.A., Allendorf, M., & Allendorf, M. (2013). Importance of Flexibility in Simulating Gas Diffusion through Metal-Organic Frameworks [Conference]. https://www.osti.gov/biblio/1115089

Greathouse, J.A., Nenoff, T.M., & Nenoff, T.M. (2013). Metal-Organic Frameworks for Oxygen-Enrichment of Air: Insights from Molecular Simulation [Conference]. https://www.osti.gov/biblio/1115069

Parkes, M.V., Greathouse, J.A., Nenoff, T.M., & Nenoff, T.M. (2013). Novel Materials for Efficient Stationary Sources via Oxyfuel Combustion [Presentation]. https://www.osti.gov/biblio/1666181

Greathouse, J.A., Teich-McGoldrick, S., Cygan, R.T., Jove-Colon, C.F., & Jove-Colon, C.F. (2013). Molecular Simulation of Clay Hydration: Thermodynamics and Interlayer Structure [Conference]. https://www.osti.gov/biblio/1080033

Gallis, D.F.S., Rodriguez, M.A., Greathouse, J.A., Crozier, P., Nenoff, T.M., & Nenoff, T.M. (2013). Preferential Gas Adsorption in Cu-BTC: a Combined Molecular Modeling and Crystallographic Determination [Conference]. https://www.osti.gov/biblio/1073447

Greathouse, J.A. (2013). Molecular Dynamics of Interfacial Water and Cations Associated with Clay Minerals [Presentation]. https://www.osti.gov/biblio/1660831

Denning, J., Greathouse, J.A., Robinson, A., Stavila, V., Zeitler, T., & Zeitler, T. (2013). Integrating MOFs with MEMS Devices for Chemical Sensing [Conference]. https://www.osti.gov/biblio/1115964

Greathouse, J.A., Teich-McGoldrick, S., Zeitler, T., Cygan, R.T., & Cygan, R.T. (2013). Characterization of mineral dynamics and adsorption through molecular simulation and spectroscopy [Presentation]. https://www.osti.gov/biblio/1096589

Stavila, V., Greathouse, J.A., Pohl, A., Robinson, A., White, M.I., Zeitler, T., & Zeitler, T. (2012). Selective stress-based microcantilever sensors for enhanced surveillance. 10.2172/1057255

Greathouse, J.A., Cygan, R.T., Zeitler, T., & Zeitler, T. (2012). Force field development for molecular dynamics simulations of clay minerals [Conference]. https://www.osti.gov/biblio/1116302