Publications

Greathouse, J.A., Durkin, J., Cygan, R.T., & Cygan, R.T. (2008). Implementation of a Morse Potential to Model Hydroxyl Behavior in Phyllosilicates. Journal of Chemical Physics. https://www.osti.gov/biblio/1142754

Greathouse, J.A., Cygan, R.T., & Cygan, R.T. (2008). Molecular models and simulations of layered materials. Proposed for publication in the Journal of Materials Chemistry.. https://www.osti.gov/biblio/952372

Greathouse, J.A. (2008). Metal-Organic Frameworks [Presentation]. https://www.osti.gov/biblio/1700599

Greathouse, J.A., Allendorf, M., Sanders, J.C., & Sanders, J.C. (2008). Computational investigation of noble gas adsorption and separation by nanoporous materials. 10.2172/943323

Greathouse, J.A., Cygan, R.T., & Cygan, R.T. (2008). MOLECULAR SIMULATIONS OF GAS HYDRATES: PREDICTIONS OF STRUCTURE STABILITY AND VIBRATIONAL BEHAVIOR [Conference]. https://www.osti.gov/biblio/1272298

Greathouse, J.A., Cygan, R.T., & Cygan, R.T. (2008). Molecular Modeling of Clays and Clay-Water Interfaces [Conference]. https://www.osti.gov/biblio/1272297

Greathouse, J.A., Allendorf, M., & Allendorf, M. (2008). Force field validation for molecular dynamics simulations of IRMOF-1 and other isoreticular zinc carboxylate coordination polymers. Journal of Physical Chemistry C, 112(15), pp. 5795-5802. https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=43749100514&origin=inward

Greathouse, J.A., Cygan, R.T., Simmons, B., Dedrick, D.E., & Dedrick, D.E. (2007). Desalination utilizing clathrate hydrates (LDRD final report). 10.2172/934586

Greathouse, J.A., Cygan, R.T., & Cygan, R.T. (2007). Molecular Simulations: Applications in Environmental Chemistry [Presentation]. https://www.osti.gov/biblio/1720273

Larentzos, J.P., Greathouse, J.A., Cygan, R.T., & Cygan, R.T. (2007). An ab Initio and classical molecular dynamics investigation of the structural and vibrational properties of talc and pyrophyllite. Journal of Physical Chemistry C, 111(34), pp. 12752-12759. 10.1021/jp072959f

Greathouse, J.A., Kinnibrugh, T.L., & Kinnibrugh, T.L. (2007). Force Field Validation for Molecular Simulations of IRMOF-1 and Other Isoreticular Zinc Carboxylate Coordination Polymers [Conference]. https://www.osti.gov/biblio/1148239

Greathouse, J.A., Allendorf, M., & Allendorf, M. (2007). Validation of a Nonbonded Force Field for Metal-Organic Frameworks [Presentation]. https://www.osti.gov/biblio/1148183

Greathouse, J.A. (2007). Structural and Vibrational Properties of Clay Minerals from Classical and ab initio Molecular Dynamics Simulations [Conference]. https://www.osti.gov/biblio/1147921

Greathouse, J.A. (2007). Computational Geochemistry at Sandia National Labs: Gas Hydrates and Other Applications [Presentation]. https://www.osti.gov/biblio/1724191

Sabo, D., Greathouse, J.A., Leung, K., Cygan, R.T., Alam, T.M., Varma, S., Martin, M.G., & Martin, M.G. (2007). Fuel traps: mapping stability via water association. 10.2172/903433

Rempe, S., Sabo, D., Greathouse, J.A., Martin, M.G., & Martin, M.G. (2006). Molecular studies of the structural properties of hydrogen gas in bulk water. Proposed for publication in the Molecular Simulation Journal.. https://www.osti.gov/biblio/952145

Cygan, R.T., Greathouse, J.A., & Greathouse, J.A. (2005). Frontiers of interfacial water research :workshop report. 10.2172/875631

Greathouse, J.A., Cygan, R.T., & Cygan, R.T. (2005). Large-scale molecular dynamics simulations of uranium sorption onto montmorillonite surfaces [Conference]. https://www.osti.gov/biblio/1122135

Greathouse, J.A., Cygan, R.T., & Cygan, R.T. (2005). Molecular dynamics simulation of uranyl(VI) sorption equilibria onto an external montmorillonite surface. Proposed for publication in Physical Chemistry Chemical Physics.. https://www.osti.gov/biblio/972134

Greathouse, J.A. (2005). Atomistic modeling of thermodynamic properties of adsorbed species [Conference]. https://www.osti.gov/biblio/1120879