Publications

Kemp, R., Greathouse, J.A., & Boyle, T. (2016). Detection of Soluble Ligand-Tuned Molecular Tags for Subterranean Fluid Flow Monitoring Using Resonance Raman Spectroscopy [Presentation]. https://www.osti.gov/biblio/1366672

Greathouse, J.A., Cygan, R.T., Fredrich, J.T., & Jerauld, G.R. (2016). Molecular dynamics simulation of diffusion and electrical conductivity in montmorillonite interlayers. Journal of Physical Chemistry. C, 120(3). 10.1021/acs.jpcc.5b10851

Nenoff, T.M., Gallis, D.F.S., Parkes, M.V., Greathouse, J.A., & Rodriguez, M.A. (2015). Light Gas Separations with MOFs via [Conference Poster]. https://www.osti.gov/biblio/1336319

Greathouse, J.A. (2015). Molecular Geochemistry: Atomistic Simulations of Mineral Interfaces [Presentation]. https://www.osti.gov/biblio/1334583

Nenoff, T.M., Gallis, D.F.S., Parkes, M.V., Greathouse, J.A., Rodriguez, M.A., & Chapman, K.W. (2015). Light Gas Separations and Storage with MOFs via DFT Modeling Synthesis and Pressurized Induced Structural Changes [Conference Poster]. https://www.osti.gov/biblio/1331898

Teich-McGoldrick, S., Greathouse, J.A., Jove-Colon, C.F., & Cygan, R.T. (2015). Swelling Properties of Montmorillonite and Beidellite Clay Minerals from Molecular Simulation: Comparison of Temperature, Interlayer Cation, and Charge Location Effects. Journal of Physical Chemistry C, 119(36), pp. 20880-20891. 10.1021/acs.jpcc.5b03253

Nenoff, T.M., Gallis, D.F.S., Parkes, M.V., Greathouse, J.A., Rodriguez, M.A., Paap, S.M., Williams, T.C., & Shaddix, C.R. (2015). Novel Metal-Organic Frameworks for Efficient Stationary Sources via Oxyfuel Combustion. 10.2172/1214247

Nenoff, T.M., Gallis, D.F.S., Parkes, M.V., Greathouse, J.A., Paap, S.M., Shaddix, C.R., & Williams, T.C. (2015). Efficient Light Gas Separations with MOFs via Predictive Modeling and Tuned Synthesis [Conference Poster]. https://www.osti.gov/biblio/1298878

Boyle, T., Kemp, R., Greathouse, J.A., & Altman, S.J. (2015). Detection of Soluble Ligand-Tuned Molecular Tags for Subterranean Fluid Flow Monitoring Using Resonance Raman Spectroscopy [Conference Poster]. https://www.osti.gov/biblio/1311526

Nenoff, T.M., Gallis, D.F.S., Parkes, M.V., Greathouse, J.A., Rodriguez, M.A., Paap, S.M., & Shaddix, C.R. (2015). Light Gas Separations with MOFs via [Conference Poster]. https://www.osti.gov/biblio/1327468

Greathouse, J.A., Hart, D., Bowers, G.M., Kirkpatrick, R.J., & Cygan, R.T. (2015). Molecular Simulation of Structure and Diffusion at Smectite-Water Interfaces: Using Expanded Clay Interlayers as Model Nanopores. Journal of Physical Chemistry C, 119(30), pp. 17126-17136. 10.1021/acs.jpcc.5b03314

Greathouse, J.A., Geatches, D.L., Pike, D.Q., Greenwell, H.C., Johnston, C.T., Wilcox, J., & Cygan, R.T. (2015). Methylene blue adsorption on the basal surfaces of kaolinite: Structure and thermodynamics from quantum and classical molecular simulation. Clays and Clay Minerals, 63(3), pp. 185-198. https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84949464014&origin=inward

Greathouse, J.A., Hart, D., Bowers, G.M., Kirkpatrick, R.J., & Cygan, R.T. (2015). Molecular simulation of structure and diffusion at smectite-water interfaces: Using expanded clay interlayers as model nanopores [Conference Poster]. 10.1021/acs.jpcc.5b03314

Nenoff, T.M., Gallis, D.F.S., Parkes, M.V., Greathouse, J.A., Rodriguez, M.A., & Chapman, K.W. (2015). Light Gas Separations and Storage with MOFs via Modeling Synthesis and Pressurized Induced Structural Changes [Conference Poster]. https://www.osti.gov/biblio/1246878

Nenoff, T.M., Gallis, D.F.S., Parkes, M.V., Greathouse, J.A., Rodriguez, M.A., & Chapman, K.W. (2015). Light Gas Separations and Storage with MOFs via Modeling Synthesis and Pressurized Induced Structural Changes [Conference Poster]. https://www.osti.gov/biblio/1248656

Greathouse, J.A., Hart, D., & Gordon, M. (2015). Molecular Adsorption on (Oxy)hydroxide and Carbon Surfaces Studied by Molecular Simulation and Desorption Experiments [Conference Poster]. https://www.osti.gov/biblio/1249460

Nenoff, T.M., Parkes, M.V., Greathouse, J.A., & Gallis, D.F.S. (2015). Effect of metal in M3(btc)2 and M2(dobdc) MOFs for O2/N2 separations: A combined density functional theory and experimental study. Journal of Physical Chemistry C, 119(12), pp. 6556-6567. 10.1021/jp511789g

Nenoff, T.M., Gallis, D.F.S., Parkes, M.V., Greathouse, J.A., & Zhang, X. (2015). Enhanced O₂ selectivity versus N₂ by partial metal substitution in Cu-BTC. Chemistry of Materials, 27(6). 10.1021/cm5042293

Nenoff, T.M., Gallis, D.F.S., Parkes, M.V., Greathouse, J.A., Rodriguez, M.A., & Chapman, K.W. (2015). Light Gas Separations and Storage with MOFs via Modeling Synthesis and Pressurized Induced Structural Changes [Conference Poster]. https://www.osti.gov/biblio/1331621

Nenoff, T.M., Gallis, D.F.S., Parkes, M.V., Greathouse, J.A., Paap, S.M., Shaddix, C.R., & Rodriguez, M.A. (2014). Separations with MOFs via Predictive Modeling and Tuned Synthesis [Presentation]. https://www.osti.gov/biblio/1367737

Nenoff, T.M., Gallis, D.F.S., Parkes, M.V., Greathouse, J.A., Rodriguez, M.A., Paap, S.M., & Shaddix, C.R. (2014). Efficient Light Gas Separations with MOFs via Predictive Modeling and Tuned Synthesis [Presentation]. https://www.osti.gov/biblio/1563129

Teich-McGoldrick, S., Greathouse, J.A., & Cygan, R.T. (2014). Molecular dynamics simulations of uranyl adsorption and structure on the basal surface of muscovite. Molecular Simulation, 40(7-9), pp. 610-617. 10.1080/08927022.2013.838675

Greathouse, J.A., Teich-McGoldrick, S., & Allendorf, M. (2014). Molecular Simulation of Noble Gases and Air in Idealized Carbon Nanotubes: Tuning Pore Diameters for Size-selective Adsorption. Manuscript submission to Journal of Physical Chemistry. https://www.osti.gov/biblio/1183106

Greathouse, J.A. (2014). Comparing MOF Properties Between Simulation and Experiment [Conference Poster]. https://www.osti.gov/biblio/1314617

Nenoff, T.M., Gallis, D.F.S., Parkes, M.V., Rodriguez, M.A., Greathouse, J.A., Paap, S.M., & Shaddix, C.R. (2014). Efficient Light Gas Separations with MOFs via Predictive Modeling and Tuned Synthesis [Conference Poster]. https://www.osti.gov/biblio/1315097