Radiochemistry / Conference presentations, posters, and invited seminars

 

Link: HAL-IN2P3

2017 (oral presentations)

            • "Hunting invisible astatine: An excuse to study the role of spin-orbit coupling on chemical bonding" (invited) – Gomez Pech C., Sergentu D.-C., Galland N., Maurice R., – Symposium Theoretical Chemistry: Transition metals, excited states, and more, Groningen, The Netherlands, April 2017

2016 (oral presentations)

            • "Synthesis, structures, and reactions of gas-phase actinide oxide complexes: Relative stabilities and An oxidation states in AnO3(NO3)2− (An = U, Np, Pu)" (invited) – Maurice R., Renault E., Dau P. D., Gong Y., Rutkowski P. X., Gibson J. K. – Pu Futures - The Science 2016, Baden-Baden, Germany, September 2016
            • "Hydration-induced ground-state change of AtO+: A relativistic and multiconfigurational wave function theory study" – Sergentu D.-C., Réal F., Galland N., Maurice R. – Theory and Application of Computational Chemistry, Seattle, USA, August 2016
            • "Zero-field splitting in transition metal complexes: Ab initio calculations, effective Hamiltonians, and model Hamiltonians" (invited) – Maurice R., Broer R., de Graaf C., Guihéry N. – Modern Trends in Molecular Magnetism, Mumbai, India, May 2016
            • "Etude de la spéciation du Tc et de ses homologues Mn et Re sous irradiation γ et α en milieu carbonate hautement concentré" – Ghalei M., Vandenborre J., Blain G. – JECR 2016, Balaruc, France, May 2016
            • "Effet des rayonnements ionisants sur des phases élémentaires (magnétite – sidérite – calcite – pyrite) mises en jeu lors du conditionnement de déchets HA et MAVL" – Costagliola A., Vandenborre J., Blain G., Haddad F., Fattahi M. – JECR 2016, Balaruc, France, May 2016

2015 (oral presentations)

            • "Behavior of titanium alloys (T40, T64) vs. radiolytic corrosion under 4He2+ irradiation" – Noirault S., Vandenborre J., Haddad F., Fattahi M. – 16th MRS The Scientific Basis for Nuclear Waste Management Symposium, Montpellier, France, November 2015
            • "Electronic structures of the XF3 (X = Cl, Br, I, At) fluorides and topology of their potential energy surfaces" – Sergentu D.-C., Galland N., Maurice R. – 16th International Conference on Density Functional Theory and its Applications, Debrecen, Hungary, September 2015
            • "In Situ Electrochemical Behavior of Titanium Alloys (T40, T64) Under 4He2+ Irradiation" – Noireault S., Vandenborre J., Blain G., Haddad F., Fattahi M. – 13th World Conference on Titanium, San Diego, USA, August 2015
            • "Improving the classical description of the structure, dynamics and reactivity of clay surfaces by molecular modeling" – Pouvreau M., Kalinichev M. – Euroclay 2015, Edinburgh, United Kingdom, July 2015
            • "Anthropogenic tritium in the Loire River estuary" – Péron O., Gégout C., Reeves B., Montavon G., Landesman C. – IEBS 2015, Bordeaux, France, June 2015
            • "Behavior of titanium alloys (T40,T64) vs. radiolytic corrosion under 4He2+ irradiation" – Noirault S., Vandenborre J., Blain G., Haddad F., Fattahi M. – 17th French-Polish seminar "Reactivity of Solids", Dijon, France, June 2015
            • "Mesurement of Am at ultra-trace concentrations in environnemental samples" – Jouini A., Montavon G., David K., Champion J. – 7emes Journées de l'Ecole Doctorale 3MPL, Le Mans, France, June 2015
            • "Investigating AtO+-(OH−)n complexes at the molecular scale using quantum mechanical methods " – Sergentu D.-C., Maurice R., Galland N. – 7emes Journées de l'Ecole Doctorale 3MPL, Le Mans, France, June 2015
            • "Radiolytic corrosion occuring at the solid/solution interface investigated at SUBATECH: example of uranium" – Vandenborre J., Traboulsi A., Blain G., Haddad F., Fattahi M. – E-MRS, Lille, France, May 2015
            • "Microbial mobilization of cesium from illite: Role of organic acids and siderophores" – Hazotte A., Péron O., Abdelouas A., Lebeau T. – EGU 2015, Vienna, Austria, April 2015
            • "Radiolytic corrosion occuring at the solid/solution interface investigated at SUBATECH: Example of Uranium and Titanium" (invited) – Vandenborre J., Traboulsi A., Noirault S., Blain G., Haddad F., Fattahi M. – MILLER 2015 Conference, Windermere, United Kingdom, March 2015
            • "Impact of the radiolysis in the repository disposal" (invited) – Suzuki-Muresan T. – International Seminars in Sapporo, Sapporo, Japan, March 2015
            • "Anthropogenic tritium in the Loire River estuary and hydrogen lability in matrices of interest" – Péron O., Gégout C., Reeves B., Pastor L., Fourré E., Siclet F., Montavon G., Landesman C. – REIMEI Workshop, Nantes, France, January 2015
            • "Phytoextraction associated with bioaugmentaton of contaminated soils by caesium" – Hazotte A., Péron O., Abdelouas A., Lebeau T. – REIMEI Workshop, Nantes, France, January 2015
            • "Tools developed by SUBATECH for radiolysis studies in solution and/or at the interface" – Vandenborre J., Traboulsi A., Noirault S., Ghalei M., Blain G., Haddad F., Fattahi M. – REIMEI Workshop, Nantes, France, January 2015
            • "Probing the surface reactivity of mineral phases constituting the Callovo-Oxfordian argilite by isotope exchange method" – Suzuki-Muresan T., David K., Landesman C., Montavon G., Abdelouas A., Grambow B. – REIMEI Workshop, Nantes, France, January 2015

2014

                • "Bahaviour of carbon in zircaloy and zirconium in solution" (poster) – Millard-Pinard N., Bererd N., Suzuki-Muresan T., Abdelouas A., Roques J., Simoni E., Domain C., Di Giandomenico M. V., Akhmadaliev S. – 2014 MRS Fall Meeting, Boston, USA, December 2014
                • "Modélisation de molécules et matériaux d'intérêt en radiochimie" – Maurice R. – Journées du pôle ouest du réseau français de chimie théorique, Rennes, France, December 2014
                • "Outils de spéciation d'isotopes radioactifs innovants à l'échelle des ultra-traces pour la médecine nucléaire" – Champion J., Montavon G. – Séminaire de Toxicologie Nucléaire Environnementale et Humaine, Paris, France, October 2014
                • "The role of spin-orbit coupling on the chemical bonding in At2 and AtO+: analysis via effective bond orders" – Maurice R., Réal F., Gomes A. S. P., Montavon G., Vallet V., Galland N. – WATOC 2014, Santiago, Chile, October 2014
                • "The role of water molecules of the first solvation shell in modelling ligand-exchange reactions leading to AtO+ hydrolyzed species" (poster) – Sergentu D.-C., Sabatié-Gogova A., Champion J., Montavon G. Maurice R., Galland N. – WATOC 2014, Santiago, Chile, October 2014
                • "Characterisation and radiolabelling of AGuIX nanoparticles" (poster) – N'Tsiba E., Leost L., Truillet C., Ma-Guadeloupe R. A., Lux F., Alliot C., Boschetti F., Cutler C. S., Huclier-Markai S., Tillement O. – COST TD 1004 Annual Meeting, Istanbul, Turkey, October 2014
                • "Development of DOTA-based phosphonic derivatives for 44Sc: Physico-chemical optimisation and biological studies" (poster) – Kerdjoudj R., Alliot C., de la Fuentel A., Hermann P., Rösch F., Huclier-Markai S. – COST TD 1004 Annual Meeting, Istanbul, Turkey, October 2014
                • "Molecular dynamics of water and ions in the nanopores of cementitious materials" (invited) – Kalinichev A. G. – 34th Annual Cement and Concrete Science Conference and Workshop on Waste Cementation, Sheffield, United Kingdom, September 2014
                • "Experimental setup for the determination of exchangeable hydrogen in environmental samples using deuterium and tritium" (poster) – Pastor L., Péron O., Gégout C., Fourre E., Siclet F., Montavon G., Landesman C., Jean-Baptiste P. – ICRER 2014, International Conference on Radioecology and Environmental Radioactivity, Barcelona, Spain, September 2014
                • "Uranium isotope ratio analysis (235U/238U) by laser ablation high resolution inductively coupled plasma mass spectrometry for environmental radioactivity monitoring" (poster) – David K., Mokili M. B., Rousseau G., Deniau I., Landesman C. – ICRER 2014, International Conference on Radioecology and Environmental Radioactivity, Barcelona, Spain, September 2014
                • "Study induced oxidation/reduction of Tc in carbonate media by α and γ radiolysis" – Ghalei M., Vandenborre J., Blain G., Haddad F., Fattahi M. – ISTR, Pornichet, France, September 2014
                • "Review on the Tc Chemistry at SUBATECH in Inorganic Media (Chloride, Carbonate) with Radiation Effect" – Vandenborre J., Fattahi M. – ISTR, Pornichet, France, September 2014
                • "De la radiolyse à la radiochimie : la spéciation des radioéléments sous rayonnement α, γ " – Vandenborre J., Traboulsi A., Noirault S., Ghalei M., Blain G., Haddad F., Fattahi M. – XIVes Journées nationales de radiochimie et de chimie nucléaire, Orsay, France, September 2014
                • "Etude de la chimie de l'astate à l'aide de la modélisation moléculaire quantique" – Bassal F., Guillon Verne F., Maurice R., Sabatié-Gigova A., Champion J., Montavon G., Galland N. – XIVes Journées nationales de radiochimie et de chimie nucléaire, Orsay, France, September 2014
                • "Etude de la réactivité des surfaces des phases argileuses par échange isotopique" – Suzuki-Muresan T., David K., Perrigaud K., Landesman C., Abdesselam A., Grambow B. – XIVes Journées nationales de radiochimie et de chimie nucléaire, Orsay, France, September 2014
                • "Etude de l'oxydation/réduction du Tc en milieu carbonate induit par la radiolyse α et γ" (poster) – Ghalei M., Vandenborre J., Blain G., Fattahi M., Haddad F. – XIVes Journées nationales de radiochimie et de chimie nucléaire, Orsay, France, September 2014
                • "235U/238U isotope ratio analysis by LA-ICP-MS-HR for environmental radioactivity monitoring" – David K., Mokili M. B., Rousseau G., Deniau I., Landesman C. – 3rd International Conference on Radioecology and Environmental Radioactivity, Barcelona, Spain, September 2014
                • "Promising prospects of 44mSc/44Sc as an in vivo generator: Biological evaluation and PET images" – Huclier-Markai S., Alliot C., Rousseau J., Chouin N., Fani M., Bouziotis P., Maina T., Cutler C. S., Barbet J. – TERACHEM, Bressanone, Italy, September 2014
                • "Investigation of polonium(IV) complexation properties" (poster) – Younes A., Deniaud D., Gouin S., Montavon G., Alliot C., Mokili M., Galland N., Renault E., Maurice R., Champion J. – 8th International conference on isotopes and expo, Chicago, USA, August 2014
                • "Investigation of astatine chemistry in solution" (invited) – Maurice R., N. Galland, Montavon G. – 8th International conference on isotopes and expo, Chicago, USA, August 2014
                • "44mSc/44Sc in vivo generator: Radiolabeling and biological evaluation for radiopharmaceutical development" (invited) – Huclier S. – 8th International conference on isotopes and expo, Chicago, USA, August 2014
                • "Adsorption free energy profiles of metal ions at hydrated clay surfaces using molecular dynamics simulations" (invited) – Narasimhan L., Kalinichev A. G. – 248th American Chemical Society National Meeting, San Francisco, USA, August 2014
                • "Cation exchange on interstratified illite/smectite minerals: Experimental study and molecular dynamics simulations" (invited) – Chen Z., Narasimhan L., Montavon G., Kalinichev A. G. – 248th American Chemical Society National Meeting, San Francisco, USA, August 2014
                • "Update on 44m/44Sc in vivo generator: From production at Arronax to the first biological tests" – Huclier-Markai S. – COST TD 1004 WG1 Meeting - Exploring Theranostic potential of imaging reporters, Varsaw, Poland, July 2014
                • "Impact of 4He2+ radiolysis of water on UO2 corrosion" (poster) – Traboulsi A., Vandenborre J., Blain G., Fattahi M., Haddad F. – Gordon Research Conference on Radiation Chemistry, Andover, USA, July 2014
                • "Study of transportation of damaged spent nuclear fuel rods and safety assessment in the framework of radiolysis" – Kottapalli S., Grambow B., Hartnack C., Abdelouas A. – Journées Scientifiques de l'Ecole Doctorale 3MPL, Nantes, France, June 2014
                • "Separation, detection and quantification of the actinides in an environmental matrix" (poster) – Jouini A., Gégout C., Champion J., Montavon G. – Journées Scientifiques de l'Ecole Doctorale 3MPL, Nantes, France, June 2014
                • "Interaction mecanisms of the mobile fraction of organic additives in the pore water of calcium silicate hydrate(C-S-H): Experimental determination" (poster) – Androniuk J., Landesman C., Kalinichev A. G. – Journées Scientifiques de l'Ecole Doctorale 3MPL, Nantes, France, June 2014
                • "The structure and dynamics of the interface between the edges of clay nano-particles and aqueous solutions by molecular modelling" (poster) – Pouvreau M., Kalinichev A. G. – Journées Scientifiques de l'Ecole Doctorale 3MPL, Nantes, France, June 2014
                • "Theoretical investigation of the AtO+ hydrolyzed species in ligand-exchange reactions including solvation effects" (poster) – Sergentu D.-C., Champion J., Sabatié-Gogova A., Le Questel J.-Y., Maurice R., Montavon G., Galland N. – Journées Scientifiques de l'Ecole Doctorale 3MPL, Nantes, France, June 2014
                • "Optimisation du radiomarquage d'émetteur TEP sur les AGuIX" (invited) – Huclier S. – Colloque Nanohybrides, Porquerolles, France, June 2014
                • "Determination and speciation of anthropogenic tritium in the Loire River estuary (France)" (poster) – Péron O., Pastor L., Gégout C., Fourré E., Siclet F., Montavon G., Landesman C. – Goldschmidt 2014, Sacramento, USA, June 2014
                • "Uranyl adsorption at muscovite surface through molecular dynamics simulation: Interfacial structure and adsorption free energy profiles" – Narasimhan L., Kalinichev A. G. – 51th Annual Meeting of the Clay Minerals Society, College Station, USA, May 2014
                • "Adsorption of monovalent and divalent cations at the clay-water interface investigated by molecular computer simulations" – Narasimhan L., Ngouana Wakou B. F. Kalinichev A. G. – 51th Annual Meeting of the Clay Minerals Society, College Station, USA, May 2014
                • "Structure and dynamics of UO22+ sorption on kaolinite surfaces: An attempt to improve understanding of the 230Th/234U dating accuracy using computational molecular modeling techniques" (poster) – Hercman H., Pawlak J., Kalinichev A. G. – 51th Annual Meeting of the Clay Minerals Society, College Station, USA, May 2014
                • "Complexation of a novel multidentate chelating agent N2S2O2/N4O2 with Po(IV)" – Champion J., Younes A., Deniaud D., Gouin S., Montavon G., Alliot C., Mokili B. M., Galland N., Renault E., Maurice R. – 17th Radiochemical Conference, Marianske, Czech Republic, May 2014
                • "Investigation of astatine chemistry in solution" – Teze D., Champion J., Bassal F., Sabatié-Gogova ., Ayed T., Renault E., Pilmé J., Réal F., Alliot C., Sergentu D.-C., Guo N., Maurice R., Deniaud D., Asfari Z., Galland N., Montavon G. – 17th Radiochemical Conference, Marianske, Czech Republic, May 2014
                • "Etude de l'effet du rayonnement gamma sur les systèmes de corrosion des surconteneurs en acier non allié des colis de déchets nucléaires dans des conditions de stockage" (poster) – Badet H., Blain G., Fattahi-Vanani M., Crusset D., Martin C. – 17èmes Journées d'Etudes de la Chimie sous Rayonnement, Frejus, France, May 2014
                • "Etude de l'effet du rayonnement gamma sur les systèmes de corrosion des surconteneurs en acier non allié des colis de déchets nucléaires dans des conditions de stockage" – Badet H., Blain G., Fattahi-Vanani M., Crusset D., Martin C. – 17èmes Journées d'Etudes de la Chimie sous Rayonnement, Frejus, France, May 2014
                • "Etude de l'oxydation/réduction des espèces de Mn en milieu carbonate induite par radiolyse alpha et gamma" – Ghalei M., Vandenborre J., Blain G., Fattahi M., Haddad F. – 17èmes Journées d'Etudes de la Chimie sous Rayonnement, Frejus, France, May 2014
                • "Corrosion de l'oxyde d'uranium par les produits de radiolyse de l'eau : effet des espèces moléculaires" – Traboulsi A., Vandenborre J., Blain G., Fattahi M., Haddad F. – 17èmes Journées d'Etudes de la Chimie sous Rayonnement, Frejus, France, May 2014
                • "Computational molecular modeling of the adsorption and transport in clay nanopores in the context of nuclear waste disposal applications" (invited) – Kalinichev A. G., Coelho D. – 247th American Chemical Society National Meeting, Dallas, USA, March 2014
                • "Interfacial water structure and energetics of Cs+ ion adsorption on muscovite using molecular dynamics simulations" – Narasimhan L., Kalinichev A. G. – 247th American Chemical Society National Meeting, Dallas, USA, March 2014
                • "Spin-orbit coupling and physico chemical properties of molecules and materials" (invited seminar) – Maurice R. – Laboratoire PhLAM (UMR 8523), Lille, France, March 2014
                • "Thorium oxide solubility behavior vs. the surface crystalline state" – Suzuki-Muresan T., Vandenborre J., Grambow B. – International REDUPP Workshop, Stockholm, Sweden, February 2014
                • "Investigation of astatine chemistry in solution" – Champion J., Bassal F., Sabatié-Gogova A., Ayed T., Renault E., Pilmé J., Réal F., Alliot C., Sergentu D.-C., Guo N., Maurice R., Deniaud D., Tezé D., Asfari Z., Galland N., Montavon G. – 2nd Nuclear Technologies for Health Symposium, Nantes, France, February 2014
                • "Pseudo Jahn-Teller effect, spin-orbit coupling, and electron correlation in the XF3 (X=Cl, Br, I, At) series" – Sergentu D.-C., Maurice R. – Workshop Jujols VII, Mülheim an der Ruhr, Germany, January 2014

2013

                  • "Components of the performance assessment: Impact of solubility uncertainties as an example" (invited) – Suzuki-Muresan T., Grambow B., Vandenborre J., Duro L. – International Seminars in Sapporo, Sapporo, Japan, November 2013
                  • "Impact of water radiolysis on uranium dioxide corrosion" – Traboulsi A., Vandenborre J., Blain G., Barbet J., Fattahi M. – 7th EC FP CP FIRST-Nuclides, 2nd Annual Workshop 2013, Antwerpen, Belgium, November 5-6, 2013
                  • "Synthesis of novel hexadentate chelating agent N2S2O2/N4O2 for polonium complexation" (poster) – Younes A., Montavon, G., Alliot C., Mokili M. B., Gouin S., Deniaud D., Champion J. – 11th International Conference on the Health Effects of Incorporated Radionuclides, Berkeley, USA, October 2013
                  • "SKIN: Investigation of slow processes in close-to-equilibrium conditions in water/solid systems and their impact on the mobility of radionuclides in radioactive waste geological repositories" (invited) – Suzuki-Muresan T.et al. – 8th EC Conference on the Management of Radioactive Waste Community Policy and Research on Disposal, Vilnius, Lithuania, October 6-10, 2013
                  • "Tackling the nanoscale structural and compositional diversity of clay-water interfaces in molecular simulations: Recent progress, challenges, and opportunities" (invited George W. Brindley Award Lecture) – Kalinichev A.G. – 50th Annual Meeting of The Clay Minerals Society, Urbana, Illinois, USA, October 6–10, 2013
                  • "Effect of ordered and disordered isomorphic substitution on the interfacial water structure at illite surfaces: Investigation by molecular simulation" – Narasimhan L., Kalinichev A.G. – 50th Annual Meeting of The Clay Minerals Society, Urbana, Illinois, USA, October 6–10, 2013
                  • "Molecular dynamics simulation of Cs+ ion adsorption at hydrated muscovite surface – interfacial structure and adsorption energy profiles" - Narasimhan L., Kalinichev A.G. – 50th Annual Meeting of The Clay Minerals Society, Urbana, Illinois, USA, October 6–10, 2013
                  • "Adsorption and mobility of cesium and strontium on montmorillonite clay surface" – Ngouana Wakou B.F., Kalinichev A.G. – 50th Annual Meeting of The Clay Minerals Society, Urbana, Illinois, USA, October 6–10, 2013
                  • "Adsorption and energetics of protein bound uremic toxin in three different zeolitic systems – A computational Monte Carlo study" – Narasimhan L., Boulet P., Kuchta B., Schaef O., Denoyel R. – 50th Annual Meeting of The Clay Minerals Society, Urbana, Illinois, USA, October 6–10, 2013
                  • "Is the radiolabeling of DOTA-based phosphonic acids with 44Sc efficient as NOTA-based phosphonic acids with 68Ga" (poster) – Kerdjoudj R., Alliot C., Hermann P., Rösch F., Huclier-Markai S. – COST TD 1004 Annual Meeting, Athens, Greece, September 2013
                  • "Influence of clay content on HTO and 36Cl transport properties in Callovo-Oxfordian clayrock: Percolation experiments and modelling" (poster) – Landesman C., Ribet S., Bailly C., Baty V., Robinet J.-C., Grambow B. – Migration-2013, Brighton, UK, September 2013
                  • "Approaches to surface complexation modeling of Ni(II) on Callovo-Oxfordian clay stone" (poster) – Chen Z., Guo Z., Wang X., Robinet J.-C., Montavon G., Landesman C. – Migration-2013, Brighton, UK, September 2013
                  • "Drifting tracers behavior into the groundwater of a French nuclear waste disposal" – Péron O., Razafindratsima S., Piscitelli A., Gégout C., Schneider V., Barbecot F., Giffaut E., Montavon G. – Migration-2013, Brighton, UK, September 2013
                  • "Impact of water radiolysis on uranium dioxide corrosion" – Traboulsi A., Vandenborre J., Blain G., Barbet J., Fattahi M. – Migration-2013, Brighton, UK, September 2013
                  • "Evaluation of discrepancies in tetravalent oxide solubility values by isotopic exchange and its impact on the safety assessment" – Suzuki-Muresan T., Vandenborre J., Grambow B., Valls A., Duro L. – Migration-2013, Brighton, UK, September 2013
                  • "Aqueous alteration of HTR fuels particles under geological conditions" – Ait Chaou A., Abdelouas A., Karakurk G., Grambow B. – EuroMat, Sevilla, Spain, September 2013
                  • "Long-term fate and transport of fission products and actinides in geosphere" – Grambow B., Montavon G., Abdelouas A., Suzuki-Muresan T. – 2013 Goldschmidt Conference, Florence, Italy, August 25-30, 2013
                  • "Role of bacteria on the release of cesium from illite" – Hazotte A., Lebeau T., Péron O., Saito T., Abdelouas A. – 2013 Goldschmidt Conference, Florence, Italy, August 25-30, 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.G., Narasimhan L., Ngouana Wakou B.F. – 2013 Goldschmidt Conference, Florence, Italy, August 25-30, 2013
                  • "Cation adsorption, hydrogen bonding structure and dynamics at the clay-water interface: MD simulations with new models of muscovite and montmorillonite" – Narasimhan L., Ngouana Wakou B.F., Kalinichev A.G. – 2013 Goldschmidt Conference, Florence, Italy, August 25-30, 2013
                  • "Hydration, structure and mobility of Cs+ and Sr2+ in montmorillonite and muscovite clay minerals" (poster) – Ngouana Wakou B.F., Narasimhan L., Kalinichev A.G. – 2013 Goldschmidt Conference, Florence, Italy, August 25-30, 2013
                  • "Investigation of astatine chemistry in solution" – Champion J., Sabatié-Gogova A., Bassal F., Ayed T., Renault E., Pilme J.,Réal F., Alliot C., Deniaud D., Asfari Z., Galland N., Montavon G. – WIPR 2013: Workshop on Innovative Personalized Radioimmunotherapy, Nantes, France, July 10-12, 2013
                  • "Effects of local disorder in clay charge distribution on the adsorption and mobility of interlayer and interfacial aqueous species: MD simulations for new models of muscovite and montmorillonite with the CLAYFF force field" (poster) – Kalinichev A.G., Narasimhan L., Ngouana Wakou B.F. – 2nd International Workshop "Adsorption in Compliant Solids: Theory, Simulation, and Experiments", Paris, May 5-7, 2013
                  • "Effects of the local disorder in clay site substitutions on the structure and dynamics of interlayer and interfacial aqueous species: MD simulations for new models of muscovite and montmorillonite" (invited) – Kalinichev A.G., Narasimhan L., Ngouana Wakou B.F – GEOC Session "Atomistic Computational Geochemistry: Atomic-Level Processes with Macroscopic Implications", 245th American Chemical Society National Meeting, New Orleans, LA, USA, April 7-11, 2013
                  • "Structure, energetics, and dynamics of smectite clay hydration: Molecular dynamics investigations of hectorite" (oral) – Morrow C., Yazaydin A.O., Krishnan M., Bowers G.M., Kalinichev A.G. Kirkpatrick R.J. – GEOC Session "Atomistic Computational Geochemistry: Atomic-Level Processes with Macroscopic Implications", 245th American Chemical Society National Meeting, New Orleans, LA, USA, April 7-11, 2013
                  • "Molecular dynamics computer simulations of the structural and swelling properties of anionic clays intercalated with organic acids: Effects of hydrogen bonding" (poster) – Kalinichev A.G., Kumar P., Kirkpatrick R.J. – PMSE Session "Clay/Polymer Composites: Palette of Nanoclays and Other Natural Nanoparticles", 245th American Chemical Society National Meeting, New Orleans, LA, USA, April 7-11, 2013
                  • "Extraction behavior of polonium-210 from HCl and HNO3 solution using tributyl phosphate" (poster) – Younes A., Alliot C., Mokili B. M., Haddad F., Montavon G., Champion J. – International conference on nuclear data for science and technology, New York, March 2013
                  • "Mineral-fluid interfaces on the molecular scale: Computational atomistic modeling of materials for geochemical and environmental applications (invited seminar) – Kalinichev A.G. – GET (Géosciences Environnement Toulouse) - UMR 5563 CNRS, Toulouse, January 29, 2013

2012

                      • "Characterization and quantification by mass spectrometry of mobile organic matter from clay rock: Influence of the origin and of the sampling" (oral presentation) – Huclier-Markai S., Monteau F., Landesman C., Montavon G., Fernandez A.M., Vinsot A., Grambow B. – 5th International meeting "Clays in Natural and Engineered Barriers for Radioactive Waste Confinement", Montpellier, France, October 22-25, 2012
                      • "The influence of natural organic matter on Eu(III) retention on the Callovian-Oxfordian clay rock" – Vu-Do L, Mansour C., Huclier S., Landesman C., Grambow B., Foct F. – 5th International meeting "Clays in Natural and Engineered Barriers for Radioactive Waste Confinement", Montpellier, France, October 22-25, 2012
                      • "The impact of near-field materials on the dissolution of the French SON68 nuclear glass" – Bouakkaz R., Abdelouas A., Grambow B. – 5th International meeting "Clays in Natural and Engineered Barriers for Radioactive Waste Confinement", Montpellier, France, October 22-25, 2012
                      • "Corrosion of p235gh steel in the system COx groundwater/argilite: Role of microbial activity" – El Mendili Y., Abdelouas A., Karakurt G., Esseli R., Bardeau J.F. – 5th International meeting "Clays in Natural and Engineered Barriers for Radioactive Waste Confinement", Montpellier, France, October 22-25, 2012
                      • "Ethylene glycol intercalation in smectites. Molecular dynamics simulation studies" – Szczerba M., Klapyta Z., Kalinichev A.G. – 5th International meeting "Clays in Natural and Engineered Barriers for Radioactive Waste Confinement", Montpellier, France, October 22-25, 2012
                      • "Molecular modeling of the swelling properties and interlayer structure of Cs, Na, K-Montmorillonite: Effects of charge distribution in the clay layers" – Ngouana Wakou B.F., Kalinichev A.G. – 5th International meeting "Clays in Natural and Engineered Barriers for Radioactive Waste Confinement", Montpellier, France, October 22-25, 2012
                      • "Effects of surface cations on the structure and dynamics of the hydrogen-bonding network at the illite-water interface: A molecular dynamics simulation study" – Narasimhan L., Kalinichev A. G. – 5th International meeting "Clays in Natural and Engineered Barriers for Radioactive Waste Confinement", Montpellier, France, October 22-25, 2012
                      • "Slow diffusional dynamics of water in cement nanopores: Multiscale challenges for atomistic modeling" (topic leader) – Kalinichev A.G. – International US-Poland Workshop “Multiscale Computational Modeling of Cementitious Materials”, Kraków, Poland, October 18-19, 2012
                      • "Mineral-fluid interactions on the molecular scale: Computational atomistic modeling of clay-related materials for geochemical and environmental applications" – Kalinichev A.G. – Seminar at the Institute of Geological Sciences, Polish Academy of Sciences, Kraków, Poland, October 17, 2012
                      • "Radiolytic Corrosion of Grain Boundaries onto the UO2 TRISO Particle Surface" – Vandenborre J., Traboulsi A., Blain G., Barbet J., Fattahi M. – 1st Annual Workshop Proceedings, 7th EC FP - FIRST-Nuclides, October 9, 2012, Nantes, France
                      • "Speciation of technetium in acidic media" (oral presentation) – Denden I., Fattahi M., Essehli R. – XIIIe journées nationale de radiochimie et de chimie nucléaire, 4-5 October 2012, Nantes, France
                      • "Molecular modeling of the swelling properties and interlayer structure of Cs, and K-montmorillonites: Effects of charge distribution in the clay layers" (oral presentation) – Ngouana Wakou B.F., Kalinichev A.G. – XIIIe journées nationale de radiochimie et de chimie nucléaire, 4-5 October 2012, Nantes, France
                      • "A new route for polonium-210 production Via the nuclear reaction Bi-209(α, 2n)At-210" (poster) – Younes A., Alliot C., Mokili M., Champion J., Montavon G. – XIIIe journées nationale de radiochimie et de chimie nucléaire, 4-5 October 2012, Nantes, France
                      • "44m-Sc/44-Sc a new potential in vivo generator for PET imaging" (poster) – Kerdjoudj R., Alliot C., Varmenot N., Huclier-Markai S., Barbet J. – XIIIe journées nationale de radiochimie et de chimie nucléaire, 4-5 October 2012, Nantes, France
                      • "The role of microbial activity on overpack steel corrosion under geological disposal conditions" (poster) – El Mendili Y., Abdelouas A., Karakurt G., Essehli R., Bardeau J.-F. – XIIIe journées nationale de radiochimie et de chimie nucléaire, 4-5 October 2012, Nantes, France
                      • "Kinetic study and structural evolution of the French simulated SON68 nuclear waste glass during vapour hydration" (poster) – Bouakkaz R., Abdelouas A., Grambow B. – XIIIe journées nationale de radiochimie et de chimie nucléaire, 4-5 October 2012, Nantes, France
                      • "Effect of alpha radiations on SON68 nuclear waste glass properties" (poster) – Karakurt G., Abdelouas A. – XIIIe journées nationale de radiochimie et de chimie nucléaire, 4-5 October 2012, Nantes, France
                      • "Application of laser ablation HR‐ICP‐MS for direct determination of 239-Pu in synthetic urine" (poster) – Abdelouas A., Wang X., David K. – XIIIe journées nationale de radiochimie et de chimie nucléaire, 4-5 October 2012, Nantes, France
                      • "The “additivity rule” for modeling the sorption of Ni (II) on the enriched clay fraction of the Callovo-Oxfordian clay stone" (poster) – Chen Z., Montavon G., Kalinichev A.G. – XIIIe journées nationale de radiochimie et de chimie nucléaire, 4-5 October 2012, Nantes, France
                      • "Exploration of the metallic character of astatine" (poster) – Sabatie-Gogova A., Champion J., Ayed T., Renault E., Alliot C., Bassal F., Galland N., Montavon G. – XIIIe journées nationale de radiochimie et de chimie nucléaire, 4-5 October 2012, Nantes, France
                      • "Etude de l'électrolyte utilisé pour la préparation de cibles dédiées à la production du gallium 68 pour la médecine nucléaire à Arronax" (oral presentation) – Sounalet T., Guibertb J., Mokili M., Michel N., Montavon G. – XIIIe journées nationale de radiochimie et de chimie nucléaire, 4-5 October 2012, Nantes, France
                      • "Modélisation des propriétés métalliques d’un halogène, l’astate" (oral presentation) – Ayed T., Bassal F., Seydou M., Champion J., Sabatie A., Montavon G., Galland N. – XIIIe journées nationale de radiochimie et de chimie nucléaire, 4-5 October 2012, Nantes, France
                      • "La radiolyse alpha de solutions aqueuses nitriques à différentes énergies" – Garaix G., Venault L., Maurin J., Boltoeva M., Blain G., Vandenborre J., Fattahi M., Vigier N., Moisy P. – XIIIe journées nationale de radiochimie et de chimie nucléaire, 4-5 October 2012, Nantes, France
                      • "Molecular dynamics simuation of Cs+ on the hydrated muscovite surface: Local structural environment and dynamics" (poster) – Narasimhan L., Kalinichev A.G. – XIIIe journées nationale de radiochimie et de chimie nucléaire, 4-5 October 2012, Nantes, France
                      • "A new route for polonium-210 production from a bismuth-209 target" – Younes A., Montavon G., Mokili M., Champion J., Alliot C. – NRC-8, EuCheMS International Conference on Nuclear and Radiochemistry, Como, Italy, September 2012
                      • "Exploration of the metallic character of astatine" – Montavon G., Sabatié-Gogova A., Champion J., Ayed T., Alliot C., Bassal F., Galland N., Renault E. – NRC-8, EuCheMS International Conference on Nuclear and Radiochemistry, Como, Italy, September 2012
                      • "Characterization of At- and AtO+ species in simple media by high performance ion exchange chromatography coupled to gamma detector. Application to astatine speciation in human serum" (poster) – Sabatié-Gogova A., Champion J., Huclier S., Michel N., Galland N., Cherel M., Montavon G. – NRC-8, EuCheMS International Conference on Nuclear and Radiochemistry, Como, Italy, September 2012
                      • "Computational molecular modeling of mineral-water interfaces for geochemical and environmental applications" (invited lecture) – Kalinichev A.G. – VIII International School of Earth's Sciences I.S.E.S., Odessa, Ukraine, September 2-9, 2012
                      • "Effects of atomic mobility and compositional disorder in the clay layers on the structure and mobility of surface-sorbed water and ions: MD simulation study" – Kalinichev A.G., Narasimhan L., Ngouana Wakou B.F. – GL Transfert Réunion Plénière, ANDRA, Paris, July 3-4, 2012
                      • "Structure and energetics of smectite interlayer hydration: Molecular dynamics investigations of Na- and Ca hectorite" – Morrow C., Yazaydin A.O., Bowers G.M., Kalinichev A.G., Kirkpatrick R.J. – Symposium 8g: Structure and dynamics of ions and water at mineral-water interfaces: insights from experimental and computational studies, 2012 Goldschmidt Conference, Montreal, Canada, June 24-29, 2012
                      • "Speciation of RN in blood serum: a key issue in alpha therapy" (invited talk) – Montavon G., Morgenstern A. – CEA "speciation" seminar, Montpellier, May 29-30, 2012
                      • "Rôle des espèces radiolytiques moléculaires dans les mécanismes de corrosion à l'interface solide/solution : Apport de la spectroscopie Raman in situ" – Vandenborre J., Crumiere F., Essehli R., Blain G., Fattahi M. – JECR, May 27-31, 2012, Sines, Portugal
                      • "Effet de TEL sur la production d'H2 lors de la radiolyse de l'eau pure" – Crumiere F., Vandenborre J., Fattahi M. – JECR, May 27-31, 2012, Sines, Portugal
                      • "Computational molecular modeling for nuclear waste management and other environmental applications" (invited seminar) – Kalinichev A.G. – CEA-Saclay, May 21, 2012
                      • "Computational molecular modeling for nuclear waste management applications" – Kalinichev A.G. – Seminar at ANDRA, May 16, 2012
                      • "Molecular structure and dynamics of nano-confined aqueous solutions: Computer simulations of clay, cement, and polymer membranes" (invited talk) – Kalinichev A.G. – NATO Advanced Research Workshop on the Physical Chemistry of Capillary and Bound/Confined Liquids, Ein Bokek, Israel, May 7-11, 2012
                      • "Actinide seprations using ionic exchange and extraction chromatography resins" (invited talk) – Champion J. Shusterman J., Gantz E., Uribe E., Ellison P., Nitsche H. – MARC IX, Kailua Kona, USA, May 2012
                      • "Computational molecular modeling of the structure and properties of mineral-water interfaces and other geological and environmental materials" (invited seminar) – Kalinichev A.G. – Institut des Sciences de la Terre d'Orléans - UMR 7327, CNRS/Université d'Orléans, April 10, 2012
                      • "Computational molecular modeling for nuclear waste management and other radiochemical applications" (invited talk) – Kalinichev A.G., Narasimhan L., Ngouana Wakou B.F. – Journée GRIM3 2012, Groupe de Recherche Interdisciplinaire sur les Matériaux, les Molécules et la Matière, Nantes, France, March 29, 2012.
                      • "Probing the slow processes at the interface solid/water by the isotopoc exchange method" – Suzuki-Muresan T., Vandenborre J., Grambow B., Abdelouas A. – 4th ASRC International Workshop, Ibaraki, Japan, March 2012.
                      • "Probing the slow processes at the interface solid/water by the isotopoc exchange method" (invited talk) – Suzuki-Muresan T., Vandenborre J., Grambow B., Abdelouas A. – International Seminars in Sapporo, Sapporo, Japan, March 2012.
                      • "Influence of slow processes close to equilibrium on the fate of RN released in the environment" (invited talk) –Suzuki-Muresan T., Vandenborre J., David K., Grambow B. – International Seminars in Sapporo, Sapporo, Japan, March 2012.
                      • "The Radioelements at SUBATECH" – Vandenborre J. – German-French research for nuclear safety: Chemistry of the f-elements, February 22-23, 2012, Strasbourg, France

2011

                      • "Computational molecular modeling of the multi-scale dynamics of water and ions in cement nanopores" – Kalinichev A.G. – NUWCEM 2011 - 1st International Symposium on Cement-based Materials for Nuclear Wastes, Avignon, France, October 11-14, 2011
                      • "Molecular dynamics simulations on the structure and dynamics of H2O, K+, NH4+ on hydrated muscovite surface" (poster) – Narasimhan L., Ngouana Wakou B.F., Kalinichev A.G. – Clay Minerals Society - 48th Annual Meeting, Lake Tahoe, Nevada, USA, September 25-30, 2011.
                      • "Molecular models of natural organic matter and its colloidal aggregation in aqueous solutions: Challenges and opportunities for computer simulations" (keynote talk) – Kalinichev A.G. – 32nd International Conference on Solution Chemistry, La Grande Motte, France, August 28 - September 2, 2011
                      • "Structure and dynamics of CO2, H2CO3, HCO3-, CO32- in aqueous solutions: Ab initio molecular dynamics simulations" (poster) – Kumar P., Kalinichev A.G., Kirkpatrick R.J. – 32nd International Conference on Solution Chemistry, La Grande Motte, France, August 28 - September 2, 2011
                      • "Geochemistry of the long term evolution of the used nuclear fuel/water interaction" (invited talk) – Grambow B. – Special Session 23a: Fukushima Review , 2011 Goldschmidt Conference, Prague, Czech Republic, August 14-19, 2011
                      • "Hydrogen bonding and molecular ordering of water at mineral-solution interfaces" (keynote talk) – Kalinichev A.G., Wang J., Kirkpatrick R.J. – Symposium 08k: Water Structure and Hydrogen Bonding on Mineral and Nanoparticle Surfaces, 2011 Goldschmidt Conference, Prague, Czech Republic, August 14-19, 2011
                      • "Fluid-fluid phase separation under metamorphic conditions: MD simulations of a generalized composition H2O-CO2-NaCl" (invited talk) – Kalinichev A.G. – Symposium 19e: Simulation of Geofluids from Melts to Aqueous Solutions, 2011 Goldschmidt Conference, Prague, Czech Republic, August 14-19, 2011
                      • "Structure and H-bonding of aqueous carbonate species from ab initio MD simulation" (invited talk)– Kumar P., Kalinichev A.G., Kirkpatrick R.J. – CECAM Workshop “Microscopic-Scale View of CO2 Sequestration”, Centre Européen de Calcul Atomique et Moléculaire, Lausanne, Switzerland, June 22-24, 2011
                      • "MD computer simulations of aqueous mineral interfaces and the effect of organic acids" (invited talk) – Kalinichev A.G. – GL Transfert Réunion Plénière, ANDRA, Paris, May 26-27, 2011
                      • "The effects of organic molecules on cation-clay interactions in aqueous environment" (invited talk) –Kalinichev A.G. – Laboratoire PECSA, Université Pierre et Marie Curie-Paris 6, France, February 2, 2011

2010

                  • "Advances in the development of Astatine-radiolabelling protocols: exploring the metallic character of astatine", (invited talk) – Montavon G., Champion J., Seydou M., Chérel M., Galland N. – 2010 Topical Meeting on Isotopes for Medicine and Industry, Las Vegas, November 7 -11, 2010
                  • "Complexation with metal ions and colloidal aggregation of natural organic matter in aqueous solutions: A computational molecular modeling perspective" (invited talk) – Kalinichev A.G. – ANDRA Workshop on Organic Matter in Clay Rock, SUBATECH, École des Mines de Nantes, Nantes, France, September 27, 2010
                  • "Behaviour of a glass ceramic in contact with various media and solvents" – Doret A., Pellerin N., Pellerin S., Allix M., Perrigaud K., Abdelouas A., Massiot D. – 2010 International Conference on the Structure of Non-Crystalline Materials (NCM11), Paris, June 28 - July 2, 2010
                  • "Coupled transport and chemistry in clay stone studied by advective displacement. Experiments and model" (poster) – Landesman C., Bailly C., Ribet S., Baty V., Perrigaud K., Grambow B., Giffaut E. – Clays in Natural and Engineered Barriers for Radioactive WAste Confinement, 4th International meeting, Nantes, France, March 2010