Prof. Dr. Andrey Kalinichev

Profile

Academic positionFull Professor
Research fieldsTheoretical Chemistry: Electron Structure, Dynamics, Simulation,Mineralogy, Crystallography,Synthesis and Properties of Functional Materials
KeywordsClays and Clay-Related Materials, Hydrogen Bonding in Aqueous Systems, Molecular Computer Simulations, Nuclear Waste Disposal, Physical Geochemistry

Current contact address

CountryFrance
CityNantes
InstitutionInstitut Mines-Telecom Atlantique - CNRS
InstituteLaboratoire de physique subatomique et des technologies associées (Subatech)
Homepagehttps://www.imt-atlantique.fr/en/person/andrey-kalinichev

Host during sponsorship

Dr. Karl HeinzingerOtto-Hahn-Institut, Arbeitsgruppe Physikalische Chemie, Max-Planck-Institut für Chemie (Otto-Hahn-Institut), Mainz
Start of initial sponsorship01/12/1989

Programme(s)

1988Humboldt Research Fellowship Programme

Publications (partial selection)

2006Galina Bondarenko, Yuri Gorbaty, Anatoly Okhulkov, Andrey Kalinichev: Structure and Hydrogen Bonding in Liquid and Supercritical Aqueous NaCl Solutions at a Pressure of 1000 bar and Temperatures up to 500°C: A Comprehensive Experimental and Computational Study. In: Journal of Physical Chemistry A, 2006, 4042-4052
2001Andrey G. Kalinichev: Molecular simulations of liquid and supercritical water: Thermodynamics, structure, and hydrogen bonding.. In: R.T.Cygan, J.D.Kubicki. Molecular Modeling Theory: Applications in the Geosciences. Reviews in Mineralogy and Geochemistry, v.42.. Mineralogical Society of America, 2001. 83-129
1999Sergey V. Churakov, Andrey G. Kalinichev: Size and structure of molecular clusters in supercritical water. (in Russian). In: Journal of Sructural Chemistry, 1999, 673-680
1999Andrey G. Kalinichev, Sergey V. Churakov: Size and topology of molecular clusters in supercritical water: A molecular dynamics simulation. . In: Chemical Physics Letters, 1999, 411-417
1998Andrey G. Kalinichev: Supercritical water as a medium for a new generation of environmentally friendly and energy efficient technologies of the XXI century. (in Russian). In: Russian Environmental Science and Industry, 1998, 12-16
1998Andrey G. Kalinichev, Yuri E. Gorbaty: The role of hydrogen bonding in the structure and properties of hydrothermal fluids. (in Russian). In: V.A.Zharikov, Experimental and Theoretical Modeling of Mineral Formation Processes.. Nauka Publishing, 1998. 242-264
1997Andrey G. Kalinichev, Jay D. Bass: Hydrogen bonding in supercritical water. 2. Computer simulations. . In: Journal of Physical Chemistry A, 1997, 9720-9727
1996Andrey G. Kalinichev, Yuri E. Gorbaty: Hydrogen bonding in hydrothermal fluids: X-ray diffraction and computer simulations. . In: Terra Abstracts, 1996, 31-32
1995Yuri E. Gorbaty, Andrey G. Kalinichev: Hydrogen bonding in supercritical water. 1. Experimental results. . In: Journal of Physical Chemistry, 1995, 5336-5340
1995Andrey G. Kalinichev, Karl Heinzinger: Molecular dynamics of supercritical water: A computer simulation of vibrational spectra with the flexible BJH potential. . In: Geochimica et Cosmochimica Acta, 1995, 641-650
1993Andrey G. Kalinichev: Molecular dynamics and self-diffusion in supercritical water. . In: Ber. Bunsenges. Phys. Chem., 1993, 872-876
1993Andrey G. Kalinichev: Molecular dynamics computer simulations of supercritical water. . In: M.Cuney, M Cathelineau, Proc. 4th Intern. Symposium on Hydrothermal Reactions. Institut Lorrain des Geosciences, 1993. 99-102
1992Andrey G. Kalinichev, Karl Heinzinger: Computer simulations of aqueous fluids at high temperatures and pressures.. In: S.K.Saxena, Thermodynamic Data: Systematics and Estimation. Advances in Physical Geochemistry, vol.10.. Springer-Verlag, 1992. 1-59
1992Andrey G. Kalinichev: Monte Carlo simulations of water under supercritical conditions. II. Convergence characteristics and the system size effects. . In: Zeitschrift fuer Naturforschung, 1992, 992-998
1992Andrey G. Kalinichev: Self-diffusion in compressed supercritical water: A molecular dynamics study. . In: A.K.Singh, Recent Trends in High Pressure Research. . Oxford & IBH Publ. Co., 1992. 498-500