Sutton, R., G. Sposito, M. S. Diallo, and H.-R. Schulten. 2005. Molecular simulation of a model of dissolved organic matter. Environ. Toxicol. Chem. 24:1902.
Choi, H.I., P. Kumar, and X.-Z. Liang, 2006: Development of a 3-D volume averaged soil moisture transport model (VAST) with a parameterization of subgrid topographic effects. J. Climate (to submit soon).
Liang, X.-Z., H. Choi, K.E. Kunkel, Y. Dai, E. Joseph, J.X.L. Wang, and P. Kumar, 2005a: Development of the regional climate-weather research and forecasting model (CWRF): Surface boundary conditions. Illinois State Water Survey Scientific Research, ISWS SR 2005-01, 32 pp. (http://www.sws.uiuc.edu/pubs/pubdetail.asp?CallNumber=ISWS+SR+2005%2D01)
Liang, X.-Z., H. Choi, K.E. Kunkel, Y. Dai, E. Joseph, J.X.L. Wang, and P. Kumar, 2005b: Surface boundary conditions for mesoscale regional climate models. Earth Interactions, 9, 1-28.
Liang, X.-Z., M. Xu, W. Gao, K.E. Kunkel, J. Slusser, Y. Dai, Q. Min, P.R. Houser, M. Rodell, C.B. Schaaf, and F. Gao, 2005c: Development of land surface albedo parameterization bases on Moderate Resolution Imaging Spectroradiometer (MODIS) data. J. Geophys. Res., 110, D11107, doi:10.1029/2004JD005579.
Liang, X.-Z., M. Xu, J. Zhu, K.E. Kunkel, and J.X.L. Wang, 2005d: Development of the regional climate-weather research and forecasting model (CWRF): Treatment of topography. In Proceedings of the 2005 WRF/MM5 User’s Workshop, Boulder, CO, June 27-30, 5 pp.
Olsen, K. B., S. M. Day, J. B. Minster, Y. Cui, A. Chourasia, M. Faerman, R. Moore, P. Maechling, and T. Jordan (2006). Strong shaking in Los Angeles Expected From Southern Andreas Earthquake, Geophys. Res. Lett, in review.
C. Douglas, Y. Efendiev, R. Ewing, V. Ginting, R. Lazarov, M. Cole, G. Jones, "Least Squares Approach for Initial Data Recovery in Dynamic Data-Driven Applications Simulations", Comp. and Visualization in Science, vol. , (2005), p. . Accepted
C. Douglas, Y. Efendiev, R. Ewing, V. Ginting, and R. Lazarov, "Dynamic data driven simulations in stochastic environments", Computing, vol. , (2006), p. . Accepted
C.C. Douglas, Y. Efendiev, V. Ginting, R. Lazarov, "Dynamic data-driven application simulation framework for contaminant transport problems", Computer and Mathematics with Applications, vol. ,(2004), p. . Accepted
C.C. Douglas, Deng Li, "On a Novel perturbation expansion method for coupled systems of acoustics and structures", Computer and Mathematics with Applications, vol. , (2004), p. . Accepted
Deng Li and C. C. Douglas, "Dynamic Data-Driven Application Simulation Projects (in Japanese)", Bulletin of the Japanese Society of Industrial and Applied Mathematics, vol. 15, (2006), p. 75. Published
R. M. McKenzie, C. C. Douglas, and G. Haase, "AMGLab: An Interactive Matlab Testbench for Learning and Experimentation with Algebraic Multigrid Methods", SIAM Journal on Scientific Computing, vol. ,(2006), p. . Submitted
W. Li, J. Raeder, J. Dorelli, M. Oieroset, and T. D. Phan. Plasma sheet formation during long period of northward IMF. Geophys. Res. Lett., 32:L12S08, doi: 10.1029/2004GL021524, 2005.
T. Moretto, S. Vennerstrom, N. Olsen, L. Rastaetter, and J. Raeder. Using global magnetospheric models for simulation and interpretation of SWARM external field measurements. Earth, Planets, Space, page submitted, 2005.
S. M¨uhlbacher, C. J. Farrugia, J. Raeder, H. K. Biernat, and R. B. Torbert. A statistical investigation of dayside erosion showing saturation response. J. Geophys. Res., 110:A11207, doi: 10.1029/2005JA011177, 2005.
Øieroset, J. Raeder, T. D. Phan, S. Wing, J. P. McFadden, W. Li, M. Fujimoto, H. Reme, and A. Balogh. Global cooling and densification of the plasma sheet during an extended period of purely northward IMF on October 22-24, 2003. Geophys. Res. Lett., 32:L12S07, doi: 10.1029/2004GL021523, 2005.
J. Raeder. Global modeling of flux transfer events. 1. generation mechanism. Ann. Geophys., in press, 2005.
J. Raeder and G. Lu. Polar cap potential saturation during large geomagnetic storms. Adv. Space Res., 36:1804, 2005.
L. Rastaetter, M. Hesse, M. Kuznetsova, J. B. Sigwarth, J. Raeder, and T. I. Gombosi. Polar cap size during 14-16 July 2000 (Bastille Day) solar coronal mass ejection event: MHD modeling and satellite imager observations. J. Geophys. Res., 110:A07212, doi: 10.1029/2004JA010672, 2005.
S. Vennerstrom, T. Moretto, L. Rastaetter, and J. Raeder. Field-aligned currents during northward interplanetary field: Morphology and causes. J. Geophys. Res., 110:A06205, doi: 10.1029/2004JA010802, 2005.
J. M. Weygand and J. Raeder. Cosmic ray cutoff prediction using magnetic field from global magnetosphere MHD simulations. Ann. Geophys., 23, 2005.
Experimental and Theoretical Geochemistry
Bondarenko, G. V., Gorbaty, Yu. E., Okhulkov, A. V. and Kalinichev, A. G. (2005) Structure and hydrogen bonding in liquid and supercritical aqueous NaCl solutions at a pressure of 1,000 bar and temperatures up to 500ºC: A comprehensive experimental and computational study. J. Phys. Chem. A, submitted.
Kalinichev, A. G., Wang, J., and Kirkpatrick, R. J. (2005) Molecular dynamics modeling of the structure, dynamics and energetics of mineral-water interfaces: Application to cement materials, Cement and Concrete Research, submitted (PDF file attached).
Kalinichev, A. G., and Kirkpatrick, R.J (2005) Molecular dynamics simulation of the interfacial water structure at α-quartz (0001) surface. Chem. Phys. Lett., in preparation.
Kirkpatrick, R.J., A.G. Kalinichev, J. Wang, X. Hou, and J.E. Amonette (2005) Molecular modeling of the vibrational spectra of interlayer and surface species of layered double hydroxides. In: The Application of Vibrational Spectroscopy to Clay Minerals and Layered Double Hydroxides, CMS Workshop Lectures, v.13, J. Theo Kloprogge ed., The Clay Minerals Society, Aurora, CO, pp.239-285.
Kirkpatrick, R. J., Kalinichev, A. G., and Wang, J. (2005b) Invited: Molecular dynamics modeling of mineral interlayers and surfaces: Structure and dynamics, Mineralogical Magazine, 69, 287-306 (PDF file attached).
R.J. Kirkpatrick, A. G. Kalinichev, X. Hou, X., L. Struble, Experimental and molecular dynamics modeling studies of interlayer swelling: water in kanemite and ASR gel, Mater. Struct. Concr. Sci. Engr. 38 (2005) 449-458.
R.J. Kirkpatrick, A.G. Kalinichev, J. Wang, Molecular dynamics modeling of mineral interlayers and surfaces: Structure and dynamics, Mineralog. Magazine 69 (2005) 287-306.
J.-P. Korb, P.J. McDonald, L. Monteilhet, A.G. Kalinichev, R.J. Kirkpatrick, Comparison of proton field-cycling relaxometry and molecular dynamics simulations for proton-water surface dynamics in cement-based materials, Cem. Concr. Res., submitted.
Kumar P, P., Kalinichev, A.G., Li, Q., and Kirkpatrick, R. J. (2005) Molecular dynamics modeling studies of citrate incorporation in layered double hydroxides, J. Phys. Chem. A, submitted.
Reinholdt, M. X., Kalinichev, A. G., and Kirkpatrick, R. J. (2005) Experimental and molecular modeling studies of the intercalation of glutamic acid in hydrotalcite, in preparation.
Wang, J.; Kalinichev, A. G.; Kirkpatrick, R. J. Geochim. Cosmochim.Acta 2005, in press.
Wang, J., Kalinichev, A. G., and Kirkpatrick, R. J. (2005a) Structure and decompression melting of a novel, high-pressure nanoconfined 2-D ice, Journal of Physical Chemistry B, 109, 14308-14313 (PDF file attached).
Wang, J., Kalinichev, A.G., Kirkpatrick, R. J, and Cygan, R. T. (2005b) Structure, energetics, and dynamics of water adsorbed on the muscovite (001) surface: A molecular dynamics simulation, J. Physical Chemistry B, 109, 15893-15905 (PDF file attached).
Wang, J., Kalinichev, A.G., and Kirkpatrick, R.J.(2005c) Effects of substrate structure and composition on the structure, dynamics and energetics of water on mineral surfaces: a molecular dynamics modeling study, Geochim. Cosmochim. Acta, in press (PDF file attached).
J. Wang, A,G. Kalinichev, R.J. Kirkpatrick, R.T. Cygan, Structure, energetics, and dynamics of water adsorbed on the muscovite (001) surface: A Molecular dynamics simulation, J. Phys. Chem. B 109 (2005) 15893-15905.
J. Wang, A.G. Kalinichev, R. J. Kirkpatrick, Effects of substrate structure and composition on the structure, dynamics and energetics of water on mineral surfaces: A molecular dynamics modeling study, Geochim. Cosmochim. Acta, submitted.
Xu, X., Kalinichev, A. G., and Kirkpatrick, R. J. (2005) NMR investigation of Cs and Cl complexation with Suwannee River natural organic matter. Cosmochim. Geochim. Acta, in preparation.