Publications

Greathouse, J.A., Cygan, R.T., Teich-McGoldrick, S., Nenoff, T.M., & Nenoff, T.M. (2012). Molecular Dynamics of Interfacial Water and Cations Associated with Clay Minerals [Conference]. https://www.osti.gov/biblio/1116315

Cygan, R.T., Greathouse, J.A., Thurmer, K., Gordon, M., & Gordon, M. (2012). Methane Hydrate Formation on Clay Mineral Surfaces: Thermodynamic Stability and Heterogeneous Nucleation Mechanisms [Conference]. https://www.osti.gov/biblio/1073444

Zeitler, T., Greathouse, J.A., Allendorf, M., & Allendorf, M. (2012). Predicting Low-Pressure Oxygen Adsorption in Nanoporous Framework Materials for Sensing Applications [Conference]. https://www.osti.gov/biblio/1061089

Perry, J., Allendorf, M., Teich-McGoldrick, S., Greathouse, J.A., & Greathouse, J.A. (2012). Metal-Organic Frameworks for Noble Gas Adsorption [Conference]. https://www.osti.gov/biblio/1073378

Greathouse, J.A., Cygan, R.T., Jove-Colon, C.F., & Jove-Colon, C.F. (2012). Swelling curves for clays as a function of cation and temperature [Conference]. https://www.osti.gov/biblio/1073250

Zeitler, T., Greathouse, J.A., Cygan, R.T., & Cygan, R.T. (2012). Forcefield development for clay mineral edges [Conference]. https://www.osti.gov/biblio/1064294

Cygan, R.T., Greathouse, J.A., Jove-Colon, C.F., & Jove-Colon, C.F. (2012). Swelling curves for clays as a function of cation and temperature [Conference]. https://www.osti.gov/biblio/1073271

Cygan, R.T., Greathouse, J.A., Jove-Colon, C.F., & Jove-Colon, C.F. (2012). Swelling curves for clays as a function of cation and temperature [Conference]. https://www.osti.gov/biblio/1073320

Perry, J., Teich-McGoldrick, S., Greathouse, J.A., Allendorf, M., Meek, S.T., & Meek, S.T. (2012). Effects of Pore Polarizability on the Interactions between Weakly Interacting Gases and Metal-organic Frameworks [Conference]. https://www.osti.gov/biblio/1067818

Meek, S.T., Teich-McGoldrick, S., Perry, J., Greathouse, J.A., Allendorf, M., & Allendorf, M. (2012). Effects of Polarizability on the Adsorption of Noble Gases at Low Pressures in Monohalogenated Isoreticular Metal-Organic Frameworks. Proposed for publication in Journal of Physical Chemistry C., 116(37). 10.1021/jp303274m

Greathouse, J.A., Cygan, R.T., Teich-McGoldrick, S., Nenoff, T.M., & Nenoff, T.M. (2012). Molecular Models of Water and Cation Interactions at Layered Mineral Interfaces [Conference]. https://www.osti.gov/biblio/1068323

Greathouse, J.A., Cygan, R.T., Zeitler, T., & Zeitler, T. (2012). Molecular simulations of clay mineral dynamics: Applications and force field development [Conference]. https://www.osti.gov/biblio/1068353

Greathouse, J.A., Cygan, R.T., & Cygan, R.T. (2012). Cover Letter for paper entitled %22 Molecular dynamics simulations of structural and mechanical properties of muscovite: pressure and temperature effects%22. Journal of physical chemistry C. https://www.osti.gov/biblio/1078633

Greathouse, J.A., Cygan, R.T., & Cygan, R.T. (2012). Molecular Dynamics Simulations of Structural and Mechanical Properties of Muscovite: Pressure and Temperature Effects. Journal of Physical Chemistry C. https://www.osti.gov/biblio/1078626

Zeitler, T., Greathouse, J.A., Cygan, R.T., & Cygan, R.T. (2012). Effects of thermodynamic ensembles and mineral surfaces on interfacial water structure. Physical Chemistry Chemical Physics, 14(5), pp. 1728-1734. https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84855997855&origin=inward

Zeitler, T., Greathouse, J.A., Cygan, R.T., & Cygan, R.T. (2012). Effects of thermodynamic ensembles and mineral surfaces on interfacial water structure [Conference]. Physical Chemistry Chemical Physics. https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84855997855&origin=inward

Cygan, R.T., Hopkins, P.L., Greathouse, J.A., Teich-McGoldrick, S., Martinez, M., Hansen, F.D., Arguello, J.G., Sassani, D.C., Weck, P.F., & Weck, P.F. (2012). Research and Development Activities Related to the Development of Engineered Barrier Systems for Different Geologic Media [Conference]. https://www.osti.gov/biblio/1078667

Greathouse, J.A. (2011). Trends in binding phenomena of small organic molecules and CW simulants to selected materials [Conference]. https://www.osti.gov/biblio/1290125

Nenoff, T.M., Gallis, D.F.S., Garino, T.J., Krumhansl, J.L., Rademacher, D.X., Greathouse, J.A., Schwarz, H.L., Cipiti, B.B., & Cipiti, B.B. (2011). Off- Gas Sigma Team: SNL FY12 ContributionsIntroduction and Overview [Presentation]. https://www.osti.gov/biblio/1664678

Nenoff, T.M., Garino, T.J., Krumhansl, J.L., Gallis, D.F.S., Rademacher, D.X., Greathouse, J.A., Cipiti, B.B., Schwarz, H.L., & Schwarz, H.L. (2011). Volatile Gas Capture Development [Conference]. https://www.osti.gov/biblio/1106739

Greathouse, J.A., Criscenti, L., Leung, K., Cygan, R.T., & Cygan, R.T. (2011). Model Development and Applications for Minerals and Environmental Interfaces [Conference]. https://www.osti.gov/biblio/1119727

Greathouse, J.A., Gordon, M., & Gordon, M. (2011). Molecular Dynamics Simulation of Alcohol and Thiol Adsorption on (Oxy)hydroxide and Graphite Surfaces [Conference]. https://www.osti.gov/biblio/1118650

Greathouse, J.A., Cygan, R.T., & Cygan, R.T. (2011). Mechanical properties of muscovite as a function of pressure and temperature [Conference]. https://www.osti.gov/biblio/1107022

Greathouse, J.A. (2011). Molecular Simulations of Metal-Organic Frameworks [Conference]. https://www.osti.gov/biblio/1106041

Gallis, D.F.S., Garino, T.J., Krumhansl, J.L., Rademacher, D.X., Crozier, P., Greathouse, J.A., & Greathouse, J.A. (2011). Iodine Waste Form Development and Technology [Conference]. https://www.osti.gov/biblio/1107541