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All abstracts by Andrey Kalinichev in conference series: Goldschmidt

(2017) Intercalation of CO2 and H2O in Na-Hectorite Under Geological Carbon Sequestration Conditions Using GCMD Simulations
Yazaydin O, Loganathan N, Bowers G, Kalinichev A & Kirkpatrick J

(2017) Recent Improvements in ClayFF and Future Challenges for Classical Molecular Simulations of Nano-Confined Water in Minerals
Kalinichev A

(2016) Molecular Mechanisms of Cs+ Binding to the Hydrated Surfaces of Illite, Smectite, and Interstratified Illite/Smectite Clays
Kalinichev A, Loganathan N, Ngouana-Wakou B & Chen Z

(2013) Cation Adsorption, Hydrogen Bonding Structure and Dynamics at the Clay-Water Interface: MD Simulations with New Models of Muscovite and Montmorillonite
Loganathan N, Ngouana W. BF & Kalinichev A

(2013) Hydration, Structure and Mobility of Cs+ and Sr2+ in Montmorillonite and Muscovite Clay Minerals
Ngouana W. BF, Loganathan N & Kalinichev A

(2013) Addressing the Nanoscale Complexity of Mineral-Water Interfaces in MD Simulations: Effects of the Substrate Compositional Disorder on the Properties of Surface Species
Kalinichev A, Loganathan N & Ngouana W. BF

(2012) Structure and Energetics of Smectite Interlayer Hydration: Molecular Dynamics Investigations of Na- and Ca Hectorite
Morrow CP, Yazaydin AO, Bowers GM, Kalinichev AG & Kirkpatrick RJ

(2011) Fluid-Fluid Phase Separation Under Metamorphic Conditions: MD Simulations of a Generalized Composition H2O-CO2-NaCl
Kalinichev A

(2011) Hydrogen Bonding and Molecular Ordering of Water at Mineral-Solution Interfaces
Kalinichev A, Wang J & Kirkpatrick RJ

(2010) Molecular Mechanisms of the Librational Motions of Water in the Interlayers of Hydrocalumite
Kalinichev A, Iskrenova-Tchoukova E, Faraone A & Kirkpatrick RJ

(2010) Reactive Solvation and Transport Simulations of OH<sup>-</sup> Ions in Aqueous Environment: A Multistate Empirical Valence Bond (MS-EVB) Approach
Ufimtsev I, Kalinichev A, Martinez T & Kirkpatrick RJ

(2010) Dynamics and Structure of Interlayer H2O in K-Saturated Hectorite Probed by 2H and 39K NMR and Neutron Spin-Echo (NSE) Spectroscopy
Bowers G, Kalinichev A, Faraone A, Bish D & Kirkpatrick RJ

(2010) Molecular Dynamics Simulations of Metal Complexation with Natural Organic Matter and Other Aqueous Anions: Atomistic Basis for Surface Complexation Modeling
Iskrenova-Tchoukova E, Kalinichev A & Kirkpatrick RJ

(2008) Supramolecular Aggregation of Natural Organic Matter Promoted by Complexation with Ca2+, Mg2+, and Na+ Ions in Aqueous Solutions
Ahn W-Y, Kalinichev A & Clark M

(2008) Librational Dynamics of Nano-Confined Water: Neutron Spectroscopy and Molecular Dynamics Computer Simulations for Hydrocalumite
Kalinichev A, Faraone A, Udovic T, Kolesnikov A, de Souza N, Reinholdt M & Kirkpartick RJ

(2005) Amino Acid – Mineral Interaction: Experimental NMR and Computational MD Investigation of Glutamate-Intercalated Hydrotalcite
Kirkpatrick J, Reinholdt M & Kalinichev A

(2005) Molecular Dynamics Simulation of the Water/a-Quartz Interface
Kalinichev A & Kirkpatrick J

(2005) Structure and Dynamics of Citrate Ions in Mg/Al Layered Double Hydroxide: <+>13<$>C NMR and Molecular Dynamics Simulation Studies
Li Q, Kumar P, Babu P, Kalinichev A & Kirkpatrick J

(2004) Molecular Models of the External Surfaces of Kaolinite and the Dynamics of the Clay-Water Interface
Cygan R, Wang J, Kalinichev A & Kirkpatrick R

(2001) Structure and Dynamics of Layered Double Hydroxides: Interlayer and Surface Species
Kirkpatrick RJ, Kalinichev A, Hou X, Wang J, Noma H & Yu P

(2001) Molecular Simulation of the Thermodynamics and Structure of H2O-CO2-NaCl Fluids Under Hydrothermal Conditions
Kalinichev AG & Kirkpatrick RJ

(2001) H2O-NaCl Fluids: Thermodynamics, Structure, Ionic Hydration and Hydrogen Bonding as a Function of Temperature, Pressure, and Concentration
Kalinichev AG & Kirkpatrick RJ

(2001) Structure of Carbonate and Bicarbonate Aqueous Solutions: Molecular Simulation of Ionic Hydration and Ion Pairing
Kalinichev AG, Wang J & Kirkpatrick RJ

(2001) Molecular Modeling of the Interlayer Structure and Energetics of Hydrotalcite Hydration
Wang J, Kalinichev AG, Kirkpatrick RJ & Hou X

(2001) Far-Infrared Spectra of Layered Double Hydroxides: Experimental Results and Molecular Dynamics Simulation for Hydrotalcite
Kirkpatrick RJ, Wang J, Kalinichev A, Hou X & Amonette JE

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