A.G.Kalinichev: Environmental geochemistry

There are several aspects of my research relevant to the environmental science and engineering:

For many years I've been involved in the studies of supercritical aqueous fluids. Such fluids have become a subject of growing scientific interest because of emerging very promising environmentally friendly and energy efficient technologies. For instance, supercritical water oxidation (SCWO) processes can successully degrade dioxin, PCBs, benzene, DDT, urea, cyanide, and dozens of other toxic substances, including chemical-warfare agents and solid-rocket propellants. Such processes are fast, offer greater than 99.99% destruction efficiency and, because they are closed systems, can control emissions much better than traditional incinerators. Physical and chemical properties of supercritical fluids are still one of the main topics of my research interests.
In 1996-1998 I helped to organize and developed curriculum for the newly established Department of Physical and Environmental Geochemistry, Moscow State University (Chernogolovka Campus), Russia. This educational activity still goes on, although I left Chernogolovka in 1998.
I have also established a Russian web-server on Environmental Geochemistry.
My current research on the molecular-level properties of aqueous interfaces with various inorganic and organic substrates and on the strucutral and dynamic aspects of metal binding of natural organic matter in soil and water is directly related to many environmental processes and applications.

Research papers

R.T.Cygan, J.A.Greathouse, H.Heinz, A.G.Kalinichev (2008) Molecular models and simulations of layered materials. (Invited). Journal of Materials Chemistry, (in review).

W.-Y.Ahn, A.G.Kalinichev, M.M.Clark (2008) Effects of background cations on the fouling of polyethersulfone membranes by natural organic matter: Experimental and molecular modeling study. J.Membr.Sci., 309, 128-140.   [pdf 741kB]

A.G.Kalinichev, R.J.Kirkpatrick (2007) Molecular dynamics simulation of cationic complexation with natural organic matter. European Journal of Soil Science, 58, 909-917.   [pdf 521kB]

P.Kumar, A.G.Kalinichev, R.J.Kirkpatrick (2007b) Molecular dynamics simulation of the energetics and structure of layered double hydroxides intercalated with carboxylic acids. J.Phys.Chem.C, 111, 13517-13523.   [pdf 714kB]

A.G.Kalinichev, J.Wang, R.J.Kirkpatrick (2007) Molecular dynamics modeling of the structure, dynamics and energetics of mineral-water interfaces: application to cement materials. Cement and Concrete Research, 37, 337-347.   [pdf 1482kB]

J.-P. Korb, P.J. McDonald, L. Monteilhet, A.G. Kalinichev, R.J. Kirkpatrick (2007) Comparison of proton field-cycling relaxometry and molecular dynamics simulations for proton–water surface dynamics in cement-based materials. Cement and Concrete Research, 37, 348-350.   [pdf 398kB]

X.Xu, A.G.Kalinichev, R.J.Kirkpatrick (2006) ¹³³Cs and ³⁵Cl NMR spectroscopy and molecular dynamics modeling of Cs⁺ and Cl^- complexation with natural organic matter. Geochimica et Cosmochimica Acta, 70, in press.   [pdf 664kB]

P.Kumar, A.G.Kalinichev R.J.Kirkpatrick (2006) Hydration, swelling, interlayer structure and hydrogen bonding in organo-layered double hydroxides: Insights from molecular dynamics simulation of citrate-intercalated hydrotalcite. J.Phys.Chem.B, 110, 3841-3844.   [pdf 239kB]

J.Wang, A.G.Kalinichev, R.J.Kirkpatrick (2006) Effects of substrate structure and composition on the structure, dynamics and energetics of water on mineral surfaces: a molecular dynamics modeling study. Geochimica et Cosmochimica Acta, 70, 562-582.   [pdf 1077kB]

R.J.Kirkpatrick, A.G.Kalinichev, J.Wang (2005) Molecular dynamics modeling of mineral interlayers and surfaces: Structure and dynamics. (Invited). Mineralogical Magazine, 69, 287-306.   [pdf 2419kB]

J.Wang, A.G.Kalinichev, R.J.Kirkpatrick, R.T.Cygan (2005) Structure, energetics, and dynamics of water adsorbed on the muscovite (001) surface: A molecular dynamics simulation. J.Phys.Chem.B, 109, 15893-15905.   [pdf 735kB]

R.J.Kirkpatrick, A.G.Kalinichev, X.Hou, L.Struble (2005) Experimental and molecular dynamics modeling studies of interlayer swelling: Water incorporation in kanemite and ASR gel. Materials and Structures, 38(278), 449-458.   [pdf 3257kB]

R.J.Kirkpatrick, A.G.Kalinichev, J.Wang, X.Hou, 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, J. Theo Kloprogge, ed. The Clay Mineral Society, Aurora, CO. CMS Workshop Lecture Series, 13, 239-285.   [pdf 774kB]

J.Wang, A.G.Kalinichev, R.J.Kirkpatrick (2004) Molecular modeling of water structure in nano-pores between brucite (001) surfaces. Geochimica et Cosmochimica Acta, 68, 3351-3365.   [pdf 798kB]

J.Wang, A.G.Kalinichev, J.Amonette, R.J.Kirkpatrick (2003) Interlayer structure and dynamics of Cl-bearing hydrotalcite: far infrared spectroscopy and molecular dynamics modeling. American Mineralogist, 88, 398-409.   [pdf 1262kB]

A.G.Kalinichev, R.J.Kirkpatrick (2002) Molecular dynamics modeling of chloride binding to the surfaces of Ca-hydroxide, hydrated Ca-aluminate and Ca-silicate phases. Chemistry of Materials, 14, 3539-3549.   [pdf 1161kB]

X.Hou, A.G.Kalinichev, R.J.Kirkpatrick (2002) Interlayer structure and dynamics of Cl^–-LiAl₂ layered double hydroxide: ³⁵Cl NMR observations and molecular dynamics modeling. Chemistry of Materials, 14, 2078-2085.   [pdf 509KB]

A.G.Kalinichev (2001) Molecular simulations of liquid and supercritical water: Thermodynamics, structure, and hydrogen bonding. Reviews in Mineralogy and Geochemistry, 42, 83-129.   [pdf 775 kB]

J.Wang, A.G.Kalinichev, R.J.Kirkpatrick, X.Hou (2001) Molecular modeling of the structure and energetics of hydrotalcite hydration. Chemistry of Materials, 13, 145-150.   [pdf 113KB]

A.G.Kalinichev, J.Wang, R.J.Kirkpatrick, R.T.Cygan (2001) Molecular dynamics simulation of layered double hydroxides. In: Foundations of Molecular Modeling and Simulations. Ed. by P.T.Cummings and P.R.Westmoreland. AIChE Symposium Series, 97, 251-255.

R.J.Kirkpatrick, P.Yu, A.G.Kalinichev (2001) Chloride binding to cement phases: Exchange isotherm, ³⁵Cl NMR and molecular dynamics modeling studies. In: Calcium Hydroxide in Concrete. Ed. by J.Skalny, J.Gebauer, I.Odler, American Ceramics Society, Westerville, p.77-92.

A.G.Kalinichev, R.J.Kirkpatrick, R.T.Cygan (2000) Molecular modeling of the structure and dynamics of the interlayer and surface species of mixed-metal layered hydroxides: Chloride and water in hydrocalumite (Friedel's salt). American Mineralogist, 85, 1046-1052.   [pdf 359KB]

A.G.Kalinichev (1998) Environmental and physical geochemistry on the INTERNET. Russian Environmental Science and Industry, 6/98, 32-36 (in Russian).

A.G.Kalinichev (1998) Supercritical water as a medium for a new generation of environmentally friendly and energy efficient technologies of the XXI century. Russian Environmental Science and Industry, 2/98, 12-16 (in Russian).

Invited Talks and Seminars

A.G.Kalinichev (2009) Molecular simulation of the effects of metal cations on supramolecular aggregation of soil organic matter in aqueous environments - Symposium "Advances of Molecular Modelling of Bio-Geo-Chemical Interfaces", DFG and International Union of Soil Sciences, Jena, Germany, October 2009.

A.G.Kalinichev (2009) Multi-scale structure and dynamics of water at clay interfaces: Molecular dynamics simulations and neutron scattering studies - Symposium MC6 "Simulation and Theory of Clay Minerals and Interfaces", XIV-th International Clay Conference, Castellaneta Marina, Italy, June 2009.

A.G.Kalinichev (2009) Structure and dynamics of water at mineral interfaces and in nano-confinement: Connecting molecular modeling with experimental observations - Symposium "Molecular Computational Geochemistry for Water-Rock Interactions", American Chemical Society 237th National Meeting, Salt Lake City, UT, March 2009.

A.G.Kalinichev (2009) Atomistic simulations of the nano-scale structure and dynamics of aqueous species in cement phases - (keynote speaker) - Workshop "Challenges and Promises of Multi-Scale Modelling Schemes for Cementitious Materials", NANOC-LABEIN, Bilbao, Spain, March 2009.

A.G.Kalinichev (2008) Molecular dynamics simulations of water and ions at interfaces with inorganic and organic substrates - Symposium "Physical Chemistry of Environmental Interfaces", American Chemical Society 235th National Meeting, New Orleans, LA, April 2008.

A.G.Kalinichev (2008) Molecular computer simulation of the multi-scale dynamics of water and ions in cement nanopores - Department of Civil and Environmental Engineering, University of Illinois at Urbana-Champaign, Urbana, IL, April 2008.

A.G.Kalinichev, R.J.Kirkpatrick (2008) Multi-scale dynamics of water and ions in cement nano-pores: Molecular dynamics computer simulations - Special Symposium "Multi-Scale Descriptions of Concrete Performance", American Concrete Institute, Spring 2008 Convention, Los Angeles, CA, March 2008.

A.G.Kalinichev (2008) Nanoscale structure and dynamics of geologically and environmentally important aqueous interfaces: Computational molecular modeling approach - Department of Geosciences, Department of Chemistry, Western Michigan University, Kalamazoo, MI, February 2008.

A.G.Kalinichev (2008) Molecular structure and dynamics of aqueous interfaces and interlayers in clay minerals - Department of Chemistry, Michigan State University, East Lansing, MI, January 2008.

A.G.Kalinichev (2007) Structure and dynamics of aqueous mineral interfaces and interlayers: Computational molecular modeling approach - The Alumni / Shell Oil Company Distinguished Lecture Series, Department of Geological Sciences, Michigan State University, East Lansing, MI, November 2007.

A.G.Kalinichev (2006) Molecular modeling of mineral-water interfaces. Nalco Chemical Co., Naperville, IL , June 2006.

A.G.Kalinichev (2006) Molecular dynamics computer simulations of aqueous mineral interfaces and interlayers. IPNS Seminar, Argonne National Laboratory, Argonne, IL, June 2006.

A.G.Kalinichev (2006) Introduction to statistical mechanics and molecular modeling of water and aqueous interfaces. 1st Workshop "Molecular Modeling Fundamentals in Water Treatment Applications", Southwest Research Station, Portal, Arizona, April 2006.

R.J.Kirkpatrick, A.G.Kalinichev (2005) Experimental and computational study of aqueous interfaces: current research and future outlook. Workshop "Frontiers of Interfacial Water Research", Sandia National Laboratories, Santa Fe, NM, April 2005.

A.G.Kalinichev (2004) Classical Monte Carlo and molecular dynamics computer simulations. American Chemical Society and Petroleum Research Fund Summer School "Molecular Modeling Applied to Environmental Geochemistry", University Park, PA, August 2004.

A.G.Kalinichev (2004) Molecular dynamics simulations of cement-based materials. 15th Computer Modeling Workshop on Advanced Cement-Based Materials, National Institute of Standards and Technology, Gaithersburg, MD, June 2004.

A.G.Kalinichev, R.T.Cygan, J.Wang, R.J.Kirkpatrick (2004) Molecular Dynamics Computer Simulation of Aqueous Interfaces with Clays and Related Phases. Bouyoucos 2004 Conference on Electron Transport and Environmental Biogeochemistry at the Clay-Water Interface. (The Soil Science Society of America). San Antonio, TX, January 13-18, 2004.

A.G.Kalinichev (2003) Molecular dynamics simulation of aqueous solutions and substrate-solution interfaces. Invited Seminar at the Department Bioengineering and Bioinformatics, Moscow State University, Moscow, Russia, June 11, 2003.

A.G.Kalinichev (2003) Molecular dynamics computer simulations of aqueous interfaces with layered hydroxide materials. Presentation at the weekly seminar of the NSF Science and Technology Center of Advanced Materials for Water Purification (NSF Water CAMPwS), UIUC, Feb. 28, 2003. (Web-cast and posted on the Internet)

A.G.Kalinichev (2002) Molecular modeling of aqueous fluids and mineral-fluid interfaces. Invited seminar at the Department of Geology, University of Missouri at Rolla, Nov. 13, 2002.

A.G.Kalinichev, R.J.Kirkpatrick, J.Wang (2001) Molecular dynamics modeling of water-solid interactions in cement systems. Materials Research Society 2001 Annual Meeting - Symposium KK "Design, Characteristics, and Properties of Cementitious Materials", Boston, MA, November 2001.

A.G.Kalinichev, R.J.Kirkpatrick (2001) Molecular dynamics of ionic sorption and diffusion on the surfaces of cement phases. 103rd Annual Meeting of the American Ceramic Society, Indianapolis, IN, April 2001.

A.G.Kalinichev (1997) Supercritical water as a medium for a new generation of environmentally friendly and energy efficient technologies of the XXI century (opening lecture). Moscow Seminar on Supercritical Fluids Science and Technology, Moscow, November 1997.

Last updated: November 18, 2008

	Research papers
	R.T.Cygan, J.A.Greathouse, H.Heinz, A.G.Kalinichev (2008) Molecular models and simulations of layered materials. (Invited). Journal of Materials Chemistry, (in review).
	W.-Y.Ahn, A.G.Kalinichev, M.M.Clark (2008) Effects of background cations on the fouling of polyethersulfone membranes by natural organic matter: Experimental and molecular modeling study. J.Membr.Sci., 309, 128-140. [pdf 741kB]
	A.G.Kalinichev, R.J.Kirkpatrick (2007) Molecular dynamics simulation of cationic complexation with natural organic matter. European Journal of Soil Science, 58, 909-917. [pdf 521kB]
	P.Kumar, A.G.Kalinichev, R.J.Kirkpatrick (2007b) Molecular dynamics simulation of the energetics and structure of layered double hydroxides intercalated with carboxylic acids. J.Phys.Chem.C, 111, 13517-13523. [pdf 714kB]
	A.G.Kalinichev, J.Wang, R.J.Kirkpatrick (2007) Molecular dynamics modeling of the structure, dynamics and energetics of mineral-water interfaces: application to cement materials. Cement and Concrete Research, 37, 337-347. [pdf 1482kB]
	J.-P. Korb, P.J. McDonald, L. Monteilhet, A.G. Kalinichev, R.J. Kirkpatrick (2007) Comparison of proton field-cycling relaxometry and molecular dynamics simulations for proton–water surface dynamics in cement-based materials. Cement and Concrete Research, 37, 348-350. [pdf 398kB]
	X.Xu, A.G.Kalinichev, R.J.Kirkpatrick (2006) ¹³³Cs and ³⁵Cl NMR spectroscopy and molecular dynamics modeling of Cs⁺ and Cl^- complexation with natural organic matter. Geochimica et Cosmochimica Acta, 70, in press. [pdf 664kB]
	P.Kumar, A.G.Kalinichev R.J.Kirkpatrick (2006) Hydration, swelling, interlayer structure and hydrogen bonding in organo-layered double hydroxides: Insights from molecular dynamics simulation of citrate-intercalated hydrotalcite. J.Phys.Chem.B, 110, 3841-3844. [pdf 239kB]
	J.Wang, A.G.Kalinichev, R.J.Kirkpatrick (2006) Effects of substrate structure and composition on the structure, dynamics and energetics of water on mineral surfaces: a molecular dynamics modeling study. Geochimica et Cosmochimica Acta, 70, 562-582. [pdf 1077kB]
	R.J.Kirkpatrick, A.G.Kalinichev, J.Wang (2005) Molecular dynamics modeling of mineral interlayers and surfaces: Structure and dynamics. (Invited). Mineralogical Magazine, 69, 287-306. [pdf 2419kB]
	J.Wang, A.G.Kalinichev, R.J.Kirkpatrick, R.T.Cygan (2005) Structure, energetics, and dynamics of water adsorbed on the muscovite (001) surface: A molecular dynamics simulation. J.Phys.Chem.B, 109, 15893-15905. [pdf 735kB]
	R.J.Kirkpatrick, A.G.Kalinichev, X.Hou, L.Struble (2005) Experimental and molecular dynamics modeling studies of interlayer swelling: Water incorporation in kanemite and ASR gel. Materials and Structures, 38(278), 449-458. [pdf 3257kB]
	R.J.Kirkpatrick, A.G.Kalinichev, J.Wang, X.Hou, 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, J. Theo Kloprogge, ed. The Clay Mineral Society, Aurora, CO. CMS Workshop Lecture Series, 13, 239-285. [pdf 774kB]
	J.Wang, A.G.Kalinichev, R.J.Kirkpatrick (2004) Molecular modeling of water structure in nano-pores between brucite (001) surfaces. Geochimica et Cosmochimica Acta, 68, 3351-3365. [pdf 798kB]
	J.Wang, A.G.Kalinichev, J.Amonette, R.J.Kirkpatrick (2003) Interlayer structure and dynamics of Cl-bearing hydrotalcite: far infrared spectroscopy and molecular dynamics modeling. American Mineralogist, 88, 398-409. [pdf 1262kB]
	A.G.Kalinichev, R.J.Kirkpatrick (2002) Molecular dynamics modeling of chloride binding to the surfaces of Ca-hydroxide, hydrated Ca-aluminate and Ca-silicate phases. Chemistry of Materials, 14, 3539-3549. [pdf 1161kB]
	X.Hou, A.G.Kalinichev, R.J.Kirkpatrick (2002) Interlayer structure and dynamics of Cl^–-LiAl₂ layered double hydroxide: ³⁵Cl NMR observations and molecular dynamics modeling. Chemistry of Materials, 14, 2078-2085. [pdf 509KB]
	A.G.Kalinichev (2001) Molecular simulations of liquid and supercritical water: Thermodynamics, structure, and hydrogen bonding. Reviews in Mineralogy and Geochemistry, 42, 83-129. [pdf 775 kB]
	J.Wang, A.G.Kalinichev, R.J.Kirkpatrick, X.Hou (2001) Molecular modeling of the structure and energetics of hydrotalcite hydration. Chemistry of Materials, 13, 145-150. [pdf 113KB]
	A.G.Kalinichev, J.Wang, R.J.Kirkpatrick, R.T.Cygan (2001) Molecular dynamics simulation of layered double hydroxides. In: Foundations of Molecular Modeling and Simulations. Ed. by P.T.Cummings and P.R.Westmoreland. AIChE Symposium Series, 97, 251-255.
	R.J.Kirkpatrick, P.Yu, A.G.Kalinichev (2001) Chloride binding to cement phases: Exchange isotherm, ³⁵Cl NMR and molecular dynamics modeling studies. In: Calcium Hydroxide in Concrete. Ed. by J.Skalny, J.Gebauer, I.Odler, American Ceramics Society, Westerville, p.77-92.
	A.G.Kalinichev, R.J.Kirkpatrick, R.T.Cygan (2000) Molecular modeling of the structure and dynamics of the interlayer and surface species of mixed-metal layered hydroxides: Chloride and water in hydrocalumite (Friedel's salt). American Mineralogist, 85, 1046-1052. [pdf 359KB]
	A.G.Kalinichev (1998) Environmental and physical geochemistry on the INTERNET. Russian Environmental Science and Industry, 6/98, 32-36 (in Russian).
	A.G.Kalinichev (1998) Supercritical water as a medium for a new generation of environmentally friendly and energy efficient technologies of the XXI century. Russian Environmental Science and Industry, 2/98, 12-16 (in Russian).

	Invited Talks and Seminars
	A.G.Kalinichev (2009) Molecular simulation of the effects of metal cations on supramolecular aggregation of soil organic matter in aqueous environments - Symposium "Advances of Molecular Modelling of Bio-Geo-Chemical Interfaces", DFG and International Union of Soil Sciences, Jena, Germany, October 2009.
	A.G.Kalinichev (2009) Multi-scale structure and dynamics of water at clay interfaces: Molecular dynamics simulations and neutron scattering studies - Symposium MC6 "Simulation and Theory of Clay Minerals and Interfaces", XIV-th International Clay Conference, Castellaneta Marina, Italy, June 2009.
	A.G.Kalinichev (2009) Structure and dynamics of water at mineral interfaces and in nano-confinement: Connecting molecular modeling with experimental observations - Symposium "Molecular Computational Geochemistry for Water-Rock Interactions", American Chemical Society 237th National Meeting, Salt Lake City, UT, March 2009.
	A.G.Kalinichev (2009) Atomistic simulations of the nano-scale structure and dynamics of aqueous species in cement phases - (keynote speaker) - Workshop "Challenges and Promises of Multi-Scale Modelling Schemes for Cementitious Materials", NANOC-LABEIN, Bilbao, Spain, March 2009.
	A.G.Kalinichev (2008) Molecular dynamics simulations of water and ions at interfaces with inorganic and organic substrates - Symposium "Physical Chemistry of Environmental Interfaces", American Chemical Society 235th National Meeting, New Orleans, LA, April 2008.
	A.G.Kalinichev (2008) Molecular computer simulation of the multi-scale dynamics of water and ions in cement nanopores - Department of Civil and Environmental Engineering, University of Illinois at Urbana-Champaign, Urbana, IL, April 2008.
	A.G.Kalinichev, R.J.Kirkpatrick (2008) Multi-scale dynamics of water and ions in cement nano-pores: Molecular dynamics computer simulations - Special Symposium "Multi-Scale Descriptions of Concrete Performance", American Concrete Institute, Spring 2008 Convention, Los Angeles, CA, March 2008.
	A.G.Kalinichev (2008) Nanoscale structure and dynamics of geologically and environmentally important aqueous interfaces: Computational molecular modeling approach - Department of Geosciences, Department of Chemistry, Western Michigan University, Kalamazoo, MI, February 2008.
	A.G.Kalinichev (2008) Molecular structure and dynamics of aqueous interfaces and interlayers in clay minerals - Department of Chemistry, Michigan State University, East Lansing, MI, January 2008.
	A.G.Kalinichev (2007) Structure and dynamics of aqueous mineral interfaces and interlayers: Computational molecular modeling approach - The Alumni / Shell Oil Company Distinguished Lecture Series, Department of Geological Sciences, Michigan State University, East Lansing, MI, November 2007.
	A.G.Kalinichev (2006) Molecular modeling of mineral-water interfaces. Nalco Chemical Co., Naperville, IL , June 2006.
	A.G.Kalinichev (2006) Molecular dynamics computer simulations of aqueous mineral interfaces and interlayers. IPNS Seminar, Argonne National Laboratory, Argonne, IL, June 2006.
	A.G.Kalinichev (2006) Introduction to statistical mechanics and molecular modeling of water and aqueous interfaces. 1st Workshop "Molecular Modeling Fundamentals in Water Treatment Applications", Southwest Research Station, Portal, Arizona, April 2006.
	R.J.Kirkpatrick, A.G.Kalinichev (2005) Experimental and computational study of aqueous interfaces: current research and future outlook. Workshop "Frontiers of Interfacial Water Research", Sandia National Laboratories, Santa Fe, NM, April 2005.
	A.G.Kalinichev (2004) Classical Monte Carlo and molecular dynamics computer simulations. American Chemical Society and Petroleum Research Fund Summer School "Molecular Modeling Applied to Environmental Geochemistry", University Park, PA, August 2004.
	A.G.Kalinichev (2004) Molecular dynamics simulations of cement-based materials. 15th Computer Modeling Workshop on Advanced Cement-Based Materials, National Institute of Standards and Technology, Gaithersburg, MD, June 2004.
	A.G.Kalinichev, R.T.Cygan, J.Wang, R.J.Kirkpatrick (2004) Molecular Dynamics Computer Simulation of Aqueous Interfaces with Clays and Related Phases. Bouyoucos 2004 Conference on Electron Transport and Environmental Biogeochemistry at the Clay-Water Interface. (The Soil Science Society of America). San Antonio, TX, January 13-18, 2004.
	A.G.Kalinichev (2003) Molecular dynamics simulation of aqueous solutions and substrate-solution interfaces. Invited Seminar at the Department Bioengineering and Bioinformatics, Moscow State University, Moscow, Russia, June 11, 2003.
	A.G.Kalinichev (2003) Molecular dynamics computer simulations of aqueous interfaces with layered hydroxide materials. Presentation at the weekly seminar of the NSF Science and Technology Center of Advanced Materials for Water Purification (NSF Water CAMPwS), UIUC, Feb. 28, 2003. (Web-cast and posted on the Internet)
	A.G.Kalinichev (2002) Molecular modeling of aqueous fluids and mineral-fluid interfaces. Invited seminar at the Department of Geology, University of Missouri at Rolla, Nov. 13, 2002.
	A.G.Kalinichev, R.J.Kirkpatrick, J.Wang (2001) Molecular dynamics modeling of water-solid interactions in cement systems. Materials Research Society 2001 Annual Meeting - Symposium KK "Design, Characteristics, and Properties of Cementitious Materials", Boston, MA, November 2001.
	A.G.Kalinichev, R.J.Kirkpatrick (2001) Molecular dynamics of ionic sorption and diffusion on the surfaces of cement phases. 103rd Annual Meeting of the American Ceramic Society, Indianapolis, IN, April 2001.
	A.G.Kalinichev (1997) Supercritical water as a medium for a new generation of environmentally friendly and energy efficient technologies of the XXI century (opening lecture). Moscow Seminar on Supercritical Fluids Science and Technology, Moscow, November 1997.