Publications

Senanayake, H.S., Greathouse, J.A., Thompson, W.H., & Thompson, W.H. (2022). Probing electrolyte-silica interactions through simulations of the infrared spectroscopy of nanoscale pores. Journal of Chemical Physics, 157(3). 10.1063/5.0100583

Kalinichev, A.G., Greathouse, J.A., Cygan, R.T., & Cygan, R.T. (2022). Molecular Modeling of Smectites and Interaction of Various Molecules with their Surfaces [Conference Presentation]. 10.2172/2004090

Greathouse, J.A., Paul, M.J., Xu, G., Zeitler, T., & Zeitler, T. (2022). Pore size effects on noble gas uptake in naturally occurring zeolites [Conference Presentation]. 10.2172/2003808

Long, D.M., Greathouse, J.A., Xu, G., Jungjohann, K.L., & Jungjohann, K.L. (2022). Molecular Dynamics Simulation and Cryo-Electron Microscopy Investigation of AOT Surfactant Structure at the Hydrated Mica Surface. Minerals, 12(4). https://doi.org/10.3390/min12040479

Sears, J.M., Boyle, T., Kemp, R., Greathouse, J.A., Hess, R., Treadwell, L.J., Hernandez-Sanchez, B.A., & Hernandez-Sanchez, B.A. (2022). Molecular Underground Chemical Tracers for Monitoring Underground Fluid Flows and Chemistry Science Investigation: Sandia National Laboratories [Conference Poster]. https://www.osti.gov/biblio/2002502

Senanayake, H., Greathouse, J.A., Ilgen, A.G., Thompson, W., & Thompson, W. (2022). Simulations of vibrational and solvation properties of nano-confined electrolyte solutions [Conference Presentation]. 10.2172/2002074

Greathouse, J.A., Weck, P.F., Matteo, E.N., & Matteo, E.N. (2022). Structural Properties of Organically Modified Aluminum Oxyhydroxide Nanomaterials from Molecular Simulation [Conference Proceeding]. Proceedings of the International High Level Radioactive Waste Management Conference Ihlrwm 2022 Embedded with the 2022 Ans Winter Meeting. https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85181580760&origin=inward

Greathouse, J.A., Weck, P.F., Matteo, E.N., & Matteo, E.N. (2022). Structural Properties of Organically Modified Aluminum Oxyhydroxide Nanomaterials from Molecular Simulation [Conference Presentation]. Proceedings of the International High-Level Radioactive Waste Management Conference, IHLRWM 2022, Embedded with the 2022 ANS Winter Meeting. 10.2172/2006029

Allers, J.P., Priest, C.W., Greathouse, J.A., Alam, T.M., & Alam, T.M. (2021). Using Computationally-Determined Properties for Machine Learning Prediction of Self-Diffusion Coefficients in Pure Liquids. Journal of Physical Chemistry B, 125(47), pp. 12990-13002. 10.1021/acs.jpcb.1c07092

Zeitler, T., Greathouse, J.A., & Greathouse, J.A. (2021). Subsurface Gas Transport Benchmark for PFLOTRAN Code [Conference Poster]. 10.2172/1908758

Paul, M.J., Nole, M.A., Leone, R.C., Fukuyama, D.E., Greathouse, J.A., & Greathouse, J.A. (2021). Modeling Tracer Gas Adsorption and Transportin the Vadose Zone with PFLOTRAN [Conference Poster]. 10.2172/1902842

Leverant, C.J., Harvey, J.A., Greathouse, J.A., Alam, T.M., & Alam, T.M. (2021). Machine Learning Self-Diffusion Prediction for Lennard-Jones Fluids in Pores. Journal of Physical Chemistry C, 125(46), pp. 25898-25906. 10.1021/acs.jpcc.1c08297

Kinnan, M., Burton, P.D., Greathouse, J.A., Priest, C., Leverant, C.J., Fisher, T., Rempe, S., Alam, T.M., McGarvey, D.J., Creasy, B., & Creasy, B. (2021). CB10412: Bulk CWA Destruction. 10.2172/1835015

Cygan, R.T., Greathouse, J.A., Kalinichev, A.G., & Kalinichev, A.G. (2021). Advances in Clayff Molecular Simulation of Layered and Nanoporous Materials and Their Aqueous Interfaces. Journal of Physical Chemistry C, 125(32), pp. 17573-17589. 10.1021/acs.jpcc.1c04600

Greathouse, J.A. (2021). Diffusion Properties of Aqueous Fluids in Mineral Nanopores [Conference Presentation]. 10.2172/1882463

Greathouse, J.A., Duncan, T.J., Ilgen, A.G., Harvey, J.A., Criscenti, L., Knight, A.W., & Knight, A.W. (2021). Effects of nanoconfinement and surface charge on iron adsorption on mesoporous silica. Environmental Science: Nano, 8(7), pp. 1992-2005. 10.1039/d1en00066g

Leverant, C.J., Alam, T.M., Harvey, J.A., Greathouse, J.A., & Greathouse, J.A. (2021). Machine Learning Prediction of Lennard-Jones Fluid Self-Diffusion in Pores [Presentation]. 10.1021/acs.jpcc.1c08297

Poe, D., Greathouse, J.A., Alam, T.M., & Alam, T.M. (2021). Developing a Dataset of Confined Ionic Liquid Properties for Machine Learning Applications [Conference Presentation]. 10.2172/1888669

Senanayake, H.S., Greathouse, J.A., Ilgen, A.G., Thompson, W.H., & Thompson, W.H. (2021). Simulations of the IR and Raman spectra of water confined in amorphous silica slit pores [Conference Presentation]. 10.2172/1877812

Greathouse, J.A., Long, D.M., Xu, G., Jungjohann, K.L., & Jungjohann, K.L. (2021). Molecular Dynamics Simulation of Surfactant Partitioning at Aqueous Mica Interfaces [Conference Presentation]. 10.2172/1861980

Senanayake, H.S., Greathouse, J.A., Ilgen, A.G., Thompson, W.H., & Thompson, W.H. (2021). Simulations of the IR and Raman spectra of water confined in amorphous silica slit pores. Journal of Chemical Physics, 154(10). 10.1063/5.0040739

Greathouse, J.A. (2021). Prediction of MD Simulated Self-Diffusion Coefficients in a Diverse Set of Pure Liquids [Conference Presentation]. 10.2172/1856479

Greathouse, J.A. (2020). Predicting Gas Transport in the Subsurface [Presentation]. https://www.osti.gov/biblio/1841819

Criscenti, L., Greathouse, J.A., Ho, T.A., & Ho, T.A. (2020). Simulations of Gibbsite Nanoparticles and Aggregates [Conference Presentation]. 10.2172/1826981

Long, D.M., Watt, J., McClary, S.A., Hahn, N.T., Zavadil, K.R., Jungjohann, K.L., Xu, G., Yoon, H., Greathouse, J.A., & Greathouse, J.A. (2020). Cryo-FIB and cryo-TEM at CINT: Imaging solid/liquid interfaces battery interphases and beam sensitive materials [Conference Poster]. https://www.osti.gov/biblio/1822628