Publications

Greathouse, J.A., Ho, T.A., Jove-Colon, C.F., & Jove-Colon, C.F. (2024). Effect of layer bending on montmorillonite hydration and structure from molecular simulation. Clays and Clay Minerals, 72. 10.1017/cmn.2024.22

Kim, I.I., Lie, Y., Yoon, H., Greathouse, J.A., & Greathouse, J.A. (2024). Transmission interference fringe (TIF) technique for the dynamic visualization of evaporating droplet. Applied Physics Letters, 125(11). 10.1063/5.0223571

Bell, N.S., Greathouse, J.A., Weck, P.F., Juba, B.W., Rodriguez, M.A., Matteo, E.N., Wang, Y., & Wang, Y. (2024). Evaluation of novel materials for anion sorption [Presentation]. 10.2172/2585423

Greathouse, J.A., Weck, P.F., Bell, N.S., Kruichak-Duhigg, J.N., Matteo, E.N., & Matteo, E.N. (2024). Structural and Spectroscopic Properties of Butanediol-Modified Boehmite Materials. Journal of Physical Chemistry C, 128(8), pp. 3533-3542. 10.1021/acs.jpcc.3c07838

Jayawardena, T., Godahewa, S.M., Thompson, W.H., Greathouse, J.A., & Greathouse, J.A. (2024). An optimized force field for silica-water interfaces [Conference Poster]. 10.2172/2540277

Godahewa, S.M., Jayawardena, T., Thompson, W.H., Greathouse, J.A., & Greathouse, J.A. (2024). Development of ab initio-derived force fields for accurate modeling of silica-CO2 interactions [Conference Poster]. 10.2172/2540278

Matteo, E.N., Greathouse, J.A., Price, L.L., Pulido, R.J., Sassani, D.C., Alsaed, H., Sanborn, S.E., & Sanborn, S.E. (2024). Storage and Transportation of Advanced Reactor Spent Nuclear Fuel [Conference Presentation]. 10.2172/2540314

Price, L.L., Matteo, E.N., Pulido, R.J., Weck, P.F., Taconi, A.M., Mariner, P., Hadgu, T., Park, H.D., Greathouse, J.A., Sassani, D.C., Alsaed, H., & Alsaed, H. (2024). Disposal of Advanced Reactor and Accident-Tolerant Spent Nuclear Fuel [Conference Presentation]. 10.2172/2540479

Greathouse, J.A., Poe, D., Bobbitt, N.S., Wemhoner, J.D., Keth, J., Allers, J.P., Harvey, J.A., Alam, T.M., & Alam, T.M. (2024). Trends in Ionic Liquid Diffusion in Graphite Slit Pores from Molecular Dynamics Simulation and Machine Learning [Conference Presentation]. 10.2172/2540280

Senanayake, H.S., Greathouse, J.A., Thompson, W.H., & Thompson, W.H. (2024). Spectroscopy and dynamics of water-silica interfaces [Conference Presentation]. 10.2172/2540267

Greathouse, J.A., Ho, T.A., Jove-Colon, C.F., & Jove-Colon, C.F. (2024). Effect of layer bending on montmorillonite hydration and structure from molecular simulation [Presentation]. Clays and Clay Minerals. 10.2172/2585229

Jove-Colon, C.F., Ho, T.A., Lopez, C.M., Rutqvist, J., Guglielmi, Y., Hu, M., Sasaki, T., Yoon, S., Steefel, C.I., Tournassat, C., Mital, U., Luu, K., Sauer, K.B., Caporuscio, F.A., Rock, M.J., Zandanel, A.E., Zavarin, M., Wolery, T.J., Chang, E., … Greathouse, J.A. (2023). Evaluation of Nuclear Spent Fuel Disposal in Clay-Bearing Rock - Process Model Development and Experimental Studies. 10.2172/2369623

Senanayake, H.S., Wimalasiri, P.N., Godahewa, S.M., Thompson, W.H., Greathouse, J.A., & Greathouse, J.A. (2023). An Ab Initio-Derived Force Field for Amorphous Silica Interfaces for Use in Molecular Dynamics Simulations. Journal of Physical Chemistry. C, 127(33). 10.1021/acs.jpcc.3c02270

Matteo, E.N., Price, L.L., Pulido, R.J., Weck, P.F., Taconi, A.M., Mariner, P., Hadgu, T., Park, H.D., Greathouse, J.A., Sassani, D.C., Alsaed, H., & Alsaed, H. (2023). Advanced reactors spent fuel and waste streams disposition strategies. 10.2172/2335901

Bobbitt, N.S., Allers, J.P., Harvey, J.A., Poe, D., Wemhoner, J.D., Keth, J., Greathouse, J.A., & Greathouse, J.A. (2023). Machine learning predictions of diffusion in bulk and confined ionic liquids using simple descriptors. Molecular Systems Design and Engineering, 8(10), pp. 1257-1274. 10.1039/d3me00033h

Harvey, J.A., Leverant, C.J., Greathouse, J.A., Alam, T.M., & Alam, T.M. (2023). Machine Learning Predictions of Simulated Self-Diffusion Coefficients for Bulk and Confined Pure Liquids. Journal of Chemical Theory and Computation, 19(11). 10.1021/acs.jctc.2c01040

Kruichak-Duhigg, J.N., Bell, N.S., Matteo, E.N., Greathouse, J.A., Weck, P.F., Wang, Y., & Wang, Y. (2023). Synthesis and Evaluation of Novel Materials for Anionic Sorption [Conference Presentation]. 10.2172/2431158

Greathouse, J.A., Weck, P.F., Bell, N.S., Kruichak-Duhigg, J.N., Matteo, E.N., & Matteo, E.N. (2023). Structural Properties of Organically Modified Boehmite Nanomaterials from Molecular Simulation [Conference Presentation]. 10.2172/2431198

al-Masri, R., Sanchez, J.A.'., Greathouse, J.A., Matteo, E.N., Dewers, T., Deng, Y., & Deng, Y. (2023). Swelling pressure of a compacted Mg/Ca-bentonite with different pore fluid [Conference Poster]. 10.2172/2431181

Paul, M.J., Xu, G., Powell, M., Hearne, G., Greathouse, J.A., & Greathouse, J.A. (2023). Noble Gas Adsorption onto Zeolitic Materials in Atmospheric Conditions [Conference Poster]. 10.2172/2431583

Greathouse, J.A., Paul, M.J., Xu, G., Powell, M.D., & Powell, M.D. (2023). Molecular Dynamics Simulation of Pore-Size Effects on Gas Adsorption Kinetics in Zeolites. Clays and Clay Minerals, 71(1), pp. 54-73. 10.1007/s42860-023-00231-x

Xu, G., Paul, M.J., Yoon, H., Hearne, G., Greathouse, J.A., & Greathouse, J.A. (2022). Measuring Multicomponent Adsorption of Tracer Gases on Natural Zeolites. 10.2172/2432207

Leung, K., Greathouse, J.A., & Greathouse, J.A. (2022). Ab initio molecular dynamics free energy study of enhanced copper (II) dimerization on mineral surfaces. Communications Chemistry, 5(1). 10.1038/s42004-022-00688-2

Paul, M.J., Fukuyama, D.E., Leone, R.C., Nole, M.A., Greathouse, J.A., & Greathouse, J.A. (2022). Tracer Gas Model Development and Verification in PFLOTRAN. 10.2172/1889337

Senanayake, H., Greathouse, J.A., Thompson, W.H., & Thompson, W.H. (2022). Probing electrolyte?silica interactions through simulations of the infrared spectroscopy of nanoscale pores [Conference Poster]. 10.2172/2004255