Publications

[photo: Structural distortions about a calcium vacancy in calcite]
[photo: Structural distortions about a calcium vacancy in calcite]

Review Articles and Books

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  • Bañuelos, J.L., Borguet, E.U., Brown, G.E., Cygan, R.T., De Yoreo, J.J., Dove, P.M., Gaigeot, M.-P., Geiger, F.M., Gibbs, J.M., Grassian, V.H., Ilgen, A.G., Jun, Y.-S., Kabengi, N., Katz, L.E., Kubicki, J.D., Lützenkirchen, J., Putnis, C.V., Remsing, R.C., Rosso, K.M., Rother, G., Sulpizi, M., Villalobos, M., and Zhang, H. (2023) Oxide- and silicate-water interfaces and their roles in technology and the environment. Chemical Reviews, 123(10), 6413–6544. [PDF available mid-2024]
  • Cygan, R.T., Greathouse, J.A., and 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), 17573-17589. [PDF]

  • Cygan, R.T. and Myshakin, E.M. (2018) Introduction to molecular simulation studies of clay minerals.  In V. Romanov, Ed. Greenhouse Gases and Clay Minerals, Chapter 9, Springer, New York, 175-183. [PDF]
  • Myshakin, E.M. and Cygan, R.T. (2018) Monte Carlo and molecular dynamics simulations of clay mineral systems.  In V. Romanov, Ed. Greenhouse Gases and Clay Minerals, Chapter 8, Springer, New York, 147-174. [PDF]
  • Kalinichev, A.G., Liu, X., and Cygan, R.T. (2016) Introduction to a special issue on molecular computer simulations of clays and clay-water interfaces: Recent progress, challenges, and opportunities. Clays and Clay Minerals, 64(4), 335-336. [PDF]
  • Cygan, R.T. and Tazaki, K. (2014) Interactions of kaolin minerals in the environment. Elements, 10(3), 195-200. [PDF]
  • Altman, S.J., Aminzadeh, B., Balhoff, M.T., Bennett, P.C., Bryant, S.L., Cardenas, M.B., Chaudhary, K., Cygan, R.T., Deng, W., Dewers, T., DiCarlo, D.A., Eichhubl, P., Hesse, M.A., Huh, C., Matteo, E.N., Mehmani, Y., Tenney, C.M., and Yoon, H. (2014) Chemical and hydrodynamic mechanisms for long-term geological carbon storage. Journal of Physical Chemistry C, 118(28), 15103-15113. [PDF]
  • Greathouse, J.A. and Cygan, R.T. (2013) Molecular simulation of clay minerals. In F. Bergaya and G. Lagaly, Eds. Handbook of Clay Science, 5, p. 405-423. Elsevier, Amsterdam. [PDF]
  • Cygan, R.T., Greathouse, J.A., Heinz, H., and Kalinichev, A.G. (2009) Molecular models and simulations of layered materials. Journal of Materials Chemistry, 19(17), 2470-2481. [PDF]
  • Cygan, R.T., Brinker, C.J., Nyman, M.D., Leung, K., and Rempe, S.L. (2008) A molecular basis for advanced materials in water treatment. Materials Research Society Bulletin, 33(1), 42-47. [PDF]
  • Cygan, R.T., Stevens, C.T., Puls, R.W., Yabusaki, S.B., Wauchope, R.D., McGrath, C.J., Curtis, G.P., Siegel, M.D., Veblen, D.R., and Turner, D.R. (2007) Research activities at U.S. government agencies in subsurface reactive transport modeling. Vadose Zone Journal, 6(4), 805-822. [PDF ]
  • Cygan, R.T., Brady, P.V., Siegel, M.D., Jové Colón, C.F., and Bryan, C.R. (2005) Geochemistry at U.S. National Laboratories: Sandia National Laboratories. The Geochemical News, 123, 12-17. [PDF]
  • Cygan, R.T. (2003) Molecular models of metal sorption on clay minerals. In J.D. Kubicki and W.F. Bleam, Eds. Molecular Modeling of Clays and Mineral Surfaces, 12, p. 143-194. The Clay Minerals Society, Boulder. [PDF]
  • Kubicki, J.D. and Cygan, R.T. (2003) Adventures in geochemical molecular modeling. The Geochemical News, 115, 7-11. [PDF]
  • Cygan, R.T. (2002) Molecular models of radionuclide interaction with soil minerals. In P. Zhang and P.V. Brady, Eds. Geochemistry of Soil Radionuclides, p. 87-109. Soil Science Society of America, Madison. [PDF]
  • Cygan, R.T. (2001) Molecular modeling in mineralogy and geochemistry. In R.T. Cygan and J.D. Kubicki, Eds. Reviews in Mineralogy and Geochemistry: Molecular Modeling Theory: Applications in the Geosciences, p. 1-35. The Geochemical Society, Washington D.C. [PDF]
  • Cygan, R.T. and Kubicki, J.D. (2001) Reviews in Mineralogy and Geochemistry: Molecular Modeling Theory: Applications in the Geosciences. 531 p. Geochemical Society, Washington, D.C.
  • Brady, P.V., Cygan, R.T., and Nagy, K.L. (1998) Molecular controls on metal sorption to kaolinite. In E.A. Jenne, Ed. Adsorption of Metals by Geomedia, p. 371-382. Academic Press, New York.
  • Cygan, R.T., Nagy, K.L., and Brady, P.V. (1998) Molecular models of cesium sorption on kaolinite. In E.A. Jenne, Ed. Adsorption of Metals by Geomedia, p. 383-399. Academic Press, New York.
  • Cygan, R.T. (1997) Book review of Chemical Fundamentals of Geology by Robin Gill. Journal of Geoscience Education, 45, 285-286. [PDF]
  • Kirkpatrick, R.J., Kim, Y., Weiss, C.A., and Cygan, R.T. (1997) NMR spectroscopic investigations of surface and interlayer species on minerals, clays and other oxides. In A. Gonis, A. Meike, and P.E.A. Turchi, Eds. Properties of Complex Inorganic Solids, p. 157-168. Plenum Press, New York. [PDF]
  • Cygan, R.T. (1996) Shock therapy: How Earth responds to impacts from outer space. Earth in Space, 9, 7-8,14. [PDF]
  • Cygan, R.T., Crossey, L.J., and Marin, L.E. (1996) Researchers focus on Earth’s response to hypervelocity impacts. Eos, Transactions of the American Geophysical Union, 77(21), 197-199. [PDF]
  • Kim, Y., Kirkpatrick, R.J., and Cygan, R.T. (1995) 133Cs NMR study of Cs reaction with clay minerals. In V. Jain and R.A. Palmer, Eds. Environmental Issues and Waste Management Technologies in Ceramic and Nuclear Industry, p. 629-636. American Ceramic Society, Columbus. [PDF]