Division of Colloid and surface Chemistry R. Nagarajan, Program Chair
Sunday Morning Liquid State Theory: Symposium in honour of Dr. Jay Rasaiah Solvation Structure, and Dynamics Cosponsored by PHYS G. Hummer, Organizer A. Luzar, Organizer, Presiding 8:30am 1. Solvation of cations in biological channels. V. Carnevale, A. Bankura. L. Delomotte, L. Stock, W. Treptow, M.L. Klein 9:00am 2. Ultrafast probes of excess charge solvation in anionic water clusters. L. Turi, D. Borgis, P.J. Rossky 9:30am 3. Electronic excitation-induced solvation dynamics in liquid water: Molecular analysis of the energy flow pathway and timescales. J.T.Hynes, R. Rey 10:00am Intermission 10:15am Enhanced Simulations with solvation: Implicit, and explicit, J. McCammon 10:45am Solvation structure for systems with strong Coulomb interactions, J.D. Weeks 11:15am Structure, Fluctuation, and function of biomolecules in solution explored by the 3D-RISM/RISM theory F. Hirate Sunday Afternoon Liquid State Theory: Symposium in honour or Dr. Jay Rasaiah Interfacial and confined water Cosponsored by PHYS G. Hummer, Organizer A. Luzar, Organizer, Presiding 2:00pm Surface water fluctuations and chemical reactivity at liquid/liquid interfaces I. Benjamin 2:30pm Wetting of hydrophobic spaces by hydrated excess protons G. A. Voth 3:00pm Structure and dynamics of water in nanopores B.M. Ladanyi 3:30pm INTERMISSION 3:45pm Molecular Simulation of water in clay mineral nanopores. I.C. Bourg, G. Sposito 4:15pm Presure and electric field induced superhydrophobic transitions: Reversibility, and dynamics. D. Vanzo, D. Bratko, A. Luzar 4;45pm Water permeation, desalination, gating, and dipole signal transduction with nanopores. R. Zhou Monday Morning Liquid State Theory Symposium in honour of Dr. Jay Rasaiah Electrified interfaces Cosponsored by PHYS A. Luzar, G. Hummer, Organizer P. Madden, Presiding 9:00am Selective adsorption of ions to aqueous interfaces: Mechanism and effects on evaporation rates. R.J. Saykally 9:30am Wetting of ionic-functionalized surfaces. D.Vanzo, F. Moucka, A. Luzar, D. Bratko 10:00am Hydration mimicry: A strategy for fast ion transport through membrane nanopores. S.B. Rempe 10:30am INTERMISSION 10:45am Nucleation and dissolution of NaCl crystals in aqueous solution. D. Chakraborty, G. Lanaro, G. Patey 11:15am Water-amorphous silica interface: Analysis of the stern layer and surface conductors. S.J. Singer, B. Shi, M.V. Agnithotri, H. Zhang, A.A. Hassanali Monday Afternoon Liquid State Theory Symposium in honour of Dr. Jay Rasaiah Ionic and inhomogeneous liquids Cosponsored by PHYS G. Hummer, Organizer A. Luzar, Organizer, Presiding 2:00pm Ionic liquids behave as electrolyte solutions. J. Israelachvili, M. Gebbie, M. Valtiner, X. banquy, E. Fox, W. Henderson 2:30pm Ionic liquids at elctromechanical interfaces. P.A. Madden, C. Merlet, M. Salanne, B.Rotenberg 3:00pm Local Structure and dynamics, in mixtures of benzene and ionic liquids. R.M. Lynden-Bell 3:30pm INTERMISSION 3:45pm Ion pairing and hydrogen bonding in ionic liquids. B. Kirchner, M. von Domaros, D. Fihara, O. Holloczki, F. Malberg, M. Thomas, H. Weber 4:15pm Unusual charging behaviour of ionic-liquid electric double layers. J. Wu 4:45pm Molecular reorientation in fluids resulting from thermal gradients. C.D. Daub, P. Aestrand, U.L. 0sterberg, F. Bresme Tuesday Morning Liquid State Theory Symposium in honour of Dr. Jay Rasaiah Aqueous solutions, ions, electrolytes Cosponsored by PHYS G. Hummer, Organizer A. Luzar, Organizer, Presiding 8:30am Hydrogen bond fluctuations and time dependent infrared spectroscopy of aqueous solutions from first principles simulations. A. Chandra 9:00am Computational studies of ions solvation with ring polymer dynamics. I.X. Dang 9:30am Recent Applications of fluctuation solution theory. E.A. Ploetz, P.E.Smith 10:00am INTERMISSION 10:15am Viscosity of aqueous electrolyte solutions: The dynamic point of view for hydrophobicity. J. Dufreche, B. Siboulet, M. Duvail, P. Turq, J. Molina, B.Bagchi 10:45am Water-mediated molecular and ionic interactions. D. Ben-Amotz, S.R. Zukowski, J.G. Davis, B.M. Rankin 11:15am Metal ion binding at the active site of DNA plymerases. L. Perera Wednesday Morning Liquid State Theory Symposium in honour of Dr. Jay Rasaiah Hydrophobicity and water in biology Cosponsored by PHYS G. Hummer, A. Luzar Organizers S. Vaitheeswaran, Presiding 8:30am Molecular-scale hydrophobic interactions between hard-sphere reference solutes are attractive, and endothermic. L.R. Pratt, M.I.Chaudhari, H.S.Ashbaugh 9:00am Surface tension as opposed to hydrophobicity. B. Pettitt 9:30am Hydrostatic and electrostatic interactions at aqueous interfaces: Implications on Assembly. S. Garde 10:00am INTERMISSION 10:15am Role of water in protofilament assembly and amyloid polymorphism. D. Thirumalai 10:45am Hydration and hydrophobic effects on helix formation of polypeptide chains in open nanotubes. S. Samaratunga, D. Suvlu, D. Thirumalai, J. Rasaiah 11:15am Electron transfer, and carbon-carbon bond cleavage by cytochromes P450. J.C. hacket, K. Sen, G.K. Jennings Wednesday Afternoon Liquid State Theory Symposium in honour of Dr. Jay Rasaiah Confined gas, proton hydration and complex systems Cosponsored by PHYS G. Hummer, A. Luzar Organizers S. Garde, Presiding 2:00pm Modelling the filling of methane in heterogeneous pore networks. F.G. Amar, B.G. Frederick, K. York, R. Pollock 2:30pm Analysis of the hydration thermodynamics of the proton. T. Beck, T. Pollard, Y. Shi 3:00pm Coarse-grained simulations of shock wave - lipid bilayers interactions. M. Berkowitz 3:30pm INTERMISSION 3:45pm Microwave reversibility: The organizing principle for molecular machines. R. D. Astumian 4:15pm Adsorption kinetics of complex fluids at liquid surfaces. C. Bain 4:45pm Pushing atoms: Applications in nanoscience. R. L. Smith, S. D. Collins 5:15pm Ab molecular dynamics simulations of Pb(II) and selenite anions at the water-goethite interface. K. Leung
We are organizing a symposium in honor of Dr. Jay Rasaiah, at the fall ACS
(San Francisco, August 10-14, 2014)
to celebrate Jay's seminal contributions to many fields in liquid state theory;
e. g.~from ionic and polar liquids, ionic solutions, to supercritical and confined fluids,
nanotubes, electron and proton transfer.
We would like to invite you to join us in this celebration!
-- Gerhard Hummer and Alenka Luzar