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Description 
The aim of the College will be to teach fundamental concepts about water containing systems, such as chemical bonding, solvation, phase transitions, intermolecular interactions etc., which find numerous applications in fields as diverse and important as molecular biology, environmental chemistry and atmospheric physics.

TOPICS:
Physical properties of liquid water; Water bonding; Interatomic and intermolecular potentials; Simulations; New phases; Amorphous solid water; Dense crystalline ice; Clathrate hydrates; Transport mechanisms; Water clusters; Water in confined environments; Water at surfaces; Solvation; Hydrophobic and hydrophilic interactions; Water in biological systems etc.

Material

Spring College on Water in Physics, Chemistry and Biology | (smr 1831)
Go to day
  • Tuesday, 10 April 2007
    • 08:30 - 09:15 Registration and Administrative Formalities
      Location: Adriatico Guest House (Lower Level 1)
      • 08:30 Registration and Administrative Formalities 45'
    • 09:15 - 09:30 Opening
      • 09:15 Opening 15'
    • 09:30 - 10:30 Introduction to molecular dynamics simulations methods
      • 09:30 Introduction to molecular dynamics simulations methods 1h0'
        Speaker: M. BOERO (Univ.Tsukuba, Computational Sciences, Ibaraki, Japan)
        Material: lecture notes
    • 10:30 - 11:00 Coffee break
      • 10:30 Coffee break 30'
    • 11:00 - 12:00 Wetting and dewetting of water thin films on hydrophobic metal surfaces
      • 11:00 Wetting and dewetting of water thin films on hydrophobic metal surfaces 1h0'
        Speaker: Hai-Lung DAI (Temple Univ., Philadelphia, U.S.A.)
        Material: lecture notes
    • 12:00 - 13:00 Ultrafast vibrational dynamics of liquid water (experimental) - Part I
      • 12:00 Ultrafast vibrational dynamics of liquid water (experimental) - Part I 1h0'
        Speaker: H.T. ELSAESSER (Max-Born Institut, Berlin, Germany)
        Material: lecture notes
    • 13:00 - 14:30 Lunch Break
      • 13:00 Lunch Break 1h30'
    • 14:30 - 15:30 Reactive first principles molecular dynamics
      • 14:30 Reactive first principles molecular dynamics 1h0'
        Speaker: M. BOERO (Univ. Tsukuba, Computational Sciences, Ibaraki, Japan)
        Material: lecture notes
    • 15:30 - 16:30 Ultra high pressure phases
      • 15:30 Ultra high pressure phases 1h0'
        Speaker: R.J. HEMLEY (Carnegie Inst. of Washington, Geophysical Lab., Washington, U.S.A.)
        Material: lecture notes
    • 16:30 - 17:00 Coffee break
      • 16:30 Coffee break 30'
    • 17:00 - 18:00 Ultrafast vibrational dynamics of liquid water (experimental) - Part II
      • 17:00 Ultrafast vibrational dynamics of liquid water (experimental) - Part II 1h0'
        Speaker: H.T. ELSAESSER (Max-Born Institute, Berlin, Germany)
        Material: lecture notes
  • Wednesday, 11 April 2007
    • 09:00 - 10:00 Ab-initio MD of acids/bases - Part I
      • 09:00 Ab-initio MD of acids/bases - Part I 1h0'
        Speaker: D. MARX (Ruhr-Univ. Bochum, Theoretische Chemie, Bochum, Germany)
        Material: lecture notes
    • 10:00 - 10:30 Coffee break
      • 10:00 Coffee break 30'
    • 10:30 - 11:30 Use of neutrons and X-rays to probe the structure of water and amorphous ice
      • 10:30 Use of neutrons and X-rays to probe the structure of water and amorphous ice 1h0'
        Speaker: A.K. SOPER (CCLRC, Rutherford Appleton Lab, ISIS Div., Didcot, U.K.)
        Material: lecture notes
    • 11:30 - 12:30 Ultra high pressure phases - Part II
      • 11:30 Ultra high pressure phases - Part II 1h0'
        Speaker: R.J. HEMLEY (Carnegie Inst. of Washington, Geophysical Lab., Washington, U..S.A.)
        Material: lecture notes
    • 12:30 - 14:30 Lunch break
      • 12:30 Lunch break 2h0'
    • 14:30 - 15:30 Nucleation, crystallization, and glass transition in supercooled water - experimental probe through linear and nonlinear optics
      • 14:30 Nucleation, crystallization, and glass transition in supercooled water - experimental probe through linear and nonlinear optics 1h0'
        Speaker: Hai-Lung DAI (Temple Univ., Science & Technology, Philadelphia, U.S.A.)
        Material: lecture notes
    • 15:30 - 16:30 Diffraction, Raman, thermodynamics studies of ice phases - Part I
      • 15:30 Diffraction, Raman, thermodynamics studies of ice phases - Part I 1h0'
        Speaker: C.G. SALZMANN (Univ. Oxford, Inorganic Chemistry Lab., Oxford, U.K.)
        Material: lecture notes
    • 16:30 - 17:00 Coffee break
      • 16:30 Coffee break 30'
    • 17:00 - 18:00 Ab-initio MD of acids/bases - Part II
      • 17:00 Ab-initio MD of acids/bases - Part II 1h0'
        Speaker: D. MARX (Ruhr-Univ. Bochum, Theoretische Chemie, Bochum, Germany)
        Material: lecture notes
    • 19:00 - 21:00 Welcome Reception
      Location: Adriatico Guest House Cafeteria
      • 19:00 Welcome Reception 2h0'
  • Thursday, 12 April 2007
    • 09:00 - 10:00 Buried interface in aqueous colloids - nonlinear optical probe of structure and kinetics at the water-solid interface
      • 09:00 Buried interface in aqueous colloids - nonlinear optical probe of structure and kinetics at the water-solid interface 1h0'
        Speaker: Hai-Lung DAI (Temple Univ., Science & Technology, Philadelphia, U.S.A.)
        Material: lecture notes
    • 10:00 - 10:30 Coffee break
      • 10:00 Coffee break 30'
    • 10:30 - 11:30 Water a catalyst
      • 10:30 Water a catalyst 1h0'
        Speaker: M. BOERO (Univ. Tsukuba, Computational Sciences, Ibaraki, Japan)
        Material: lecture notes
    • 11:30 - 12:30 How does water dynamics influence a chemical reaction?
      • 11:30 How does water dynamics influence a chemical reaction? 1h0'
        Speaker: J.T. HYNES (ENS, UMR, CNRS 8640, Chemie, Paris Cedex, France)
    • 12:30 - 14:30 Lunch break
      • 12:30 Lunch break 2h0'
    • 14:30 - 15:30 Interpreting water data with computer simulation techniques
      • 14:30 Interpreting water data with computer simulation techniques 1h0'
        Speaker: A.K. SOPER (CCLRC, Rutherford Appleton Lab., ISIS Div., Didcot, U.K.)
        Material: lecture notes
    • 15:30 - 16:30 Diffraction, Raman, thermodynamic studies of ice phases - Part II
      • 15:30 Diffraction, Raman, thermodynamic studies of ice phases - Part II 1h0'
        Speaker: C.G. SALZMANN (Univ. Oxford, Inorganic Chemistry Lab., Oxford, U.K.)
        Material: lecture notes
    • 16:30 - 17:00 Coffee break
      • 16:30 Coffee break 30'
    • 17:00 - 18:00 Ultrafast vibrational dynamics of liquid water (experimental) - Part III
      • 17:00 Ultrafast vibrational dynamics of liquid water (experimental) - Part III 1h0'
        Speaker: H.T. ELSAESSER (Max-Born Institut, Berlin, Germany)
        Material: lecture notes
  • Friday, 13 April 2007
    • 09:00 - 10:00 How does a water molecule reorient in water and in an ion hydration shell?
      • 09:00 How does a water molecule reorient in water and in an ion hydration shell? 1h0'
        Speaker: J.T. HYNES (ENS, UMR CNRS 8640, Chemie, Paris Cedex, France)
    • 10:00 - 10:30 Coffee break
      • 10:00 Coffee break 30'
    • 10:30 - 11:30 Diffraction, Raman, thermodynamic studies of ice phases - Part III
      • 10:30 Diffraction, Raman, thermodynamic studies of ice phases - Part III 1h0'
        Speaker: C.G. SALZMANN (Univ. Oxford, Inorganic Chemistry Lab., Oxford, U.K.)
        Material: lecture notes
    • 11:30 - 12:30 Water spectroscopy and atmospheric implications
      • 11:30 Water spectroscopy and atmospheric implications 1h0'
        Speaker: A. CALLEGARI (SICPA Management SA, Prilly, Switzerland)
        Material: lecture notes
    • 12:30 - 14:30 Lunch break
      • 12:30 Lunch break 2h0'
    • 14:30 - 15:30 Tackling aqueous solutions with neutrons and computers
      • 14:30 Tackling aqueous solutions with neutrons and computers 1h0'
        Speaker: A.K. SOPER (CCLRC, Rutherford Appleton Lab., ISIS Div., Didcot, U.K.)
        Material: lecture notes
    • 15:30 - 16:30 How does water receive and transfer vibrational energy?
      • 15:30 How does water receive and transfer vibrational energy? 1h0'
        Speaker: J.T. HYNES (ENS, UMR CNRS 8640, Chemie, Paris Cedex, France)
    • 16:30 - 17:00 Coffee break
      • 16:30 Coffee break 30'
    • 17:00 - 18:00 Simulations of liquid water from first principles
      • 17:00 Simulations of liquid water from first principles 1h0'
        Speaker: K. SZALEWICZ (Univ. of Delaware, Physics & Astronomy, Newark, U.S.A.)
        Material: lecture notes
  • Monday, 16 April 2007
    • 09:00 - 10:00 Structure and spectroscopy of neutral water clusters
      • 09:00 Structure and spectroscopy of neutral water clusters 1h0'
        Speaker: V. BUCH (The Hebrew Univ. of Jerusalem, Physical Chemistry, Jerusalem, Israel)
        Material: lecture notes
    • 10:00 - 10:30 Coffee break
      • 10:00 Coffee break 30'
    • 10:30 - 11:30 Probing solvation dynamics in the sub-picosecond regime: Experimental probes - Part I
      • 10:30 Probing solvation dynamics in the sub-picosecond regime: Experimental probes - Part I 1h0'
        Speaker: M. HAVENITH (Ruhr-Univ. Bochum, Physikalische Chemie II, Bochum, Germany)
        Material: lecture notes
    • 11:30 - 12:30 Nonlinear spectroscopy of water surfaces - Part I
      • 11:30 Nonlinear spectroscopy of water surfaces - Part I 1h0'
        Speaker: Hongfei WANG (CAS, Inst.Chemistry, Molecular Reaction Dynamics Lab., Beijing, China)
        Material: lecture notes
    • 12:30 - 14:30 Lunch break
      • 12:30 Lunch break 2h0'
    • 14:30 - 15:30 Neutral water clusters: size selection and infrared spectroscopy
      • 14:30 Neutral water clusters: size selection and infrared spectroscopy 1h0'
        Speaker: U. BUCK (MPI for Dynamics & Self-Organization, Goettingen, Germany)
        Material: lecture notes
    • 15:30 - 16:30 Theoretical spectra of water clusters
      • 15:30 Theoretical spectra of water clusters 1h0'
        Speaker: K. SZALEWICZ (Univ. of Delaware, Physics & Astronomy, Newark, U.S.A.)
        Material: lecture notes
    • 16:30 - 17:00 Coffee break
      • 16:30 Coffee break 30'
    • 17:00 - 18:00 Nonlinear spectroscopy of water surfaces - Part II
      • 17:00 Nonlinear spectroscopy of water surfaces - Part II 1h0'
        Speaker: Hongfei WANG (CAS, Inst.Chemistry, Molecular Reaction Dynamics Lab., Beijing, China)
        Material: lecture notes
  • Tuesday, 17 April 2007
    • 09:00 - 10:00 Highly anharmonic vibrational spectroscopy of water - containing systems, interpreted by on the fly dynamics
      • 09:00 Highly anharmonic vibrational spectroscopy of water - containing systems, interpreted by on the fly dynamics 1h0'
        Speaker: V. BUCH (The Hebrew Univ. of Jerusalem, Physical Chemistry, Jerusalem, Israel)
        Material: lecture notes
    • 10:00 - 10:30 Coffee break
      • 10:00 Coffee break 30'
    • 10:30 - 11:30 Water at biological interfaces (theory) - Part I
      • 10:30 Water at biological interfaces (theory) - Part I 1h0'
        Speaker: S. RAUGEI (S.I.S.S.A., Statistical and Biological Physics Sector, Trieste, Italy)
        Material: lecture notes
    • 11:30 - 12:30 Probing solvation dynamics in the sub-picosecond regime by THz spectroscopy - Part II
      • 11:30 Probing solvation dynamics in the sub-picosecond regime by THz spectroscopy - Part II 1h0'
        Speaker: M. HAVENDITH (Ruhr-Univ. Bochum, Physikalische Chemie II, Bochum, Germany)
        Material: lecture notes
    • 12:30 - 14:30 Lunch break
      • 12:30 Lunch break 2h0'
    • 14:30 - 15:30 Clathrates: Background, experimental and theoretical methods
      • 14:30 Clathrates: Background, experimental and theoretical methods 1h0'
        Speaker: D. KLUG (NRC, Steacie Inst. for Molecular Sciences, Ottawa, Ontario, Canada)
        Material: lecture notes
    • 15:30 - 16:30 Neutral water clusters: infrared spectroscopy of pure and doped nanoparticles
      • 15:30 Neutral water clusters: infrared spectroscopy of pure and doped nanoparticles 1h0'
        Speaker: U. BUCK (MPI for Dynamics & Self-Organization, Goettingen, Germany)
        Material: lecture notes
    • 16:30 - 17:00 Coffee break
      • 16:30 Coffee break 30'
    • 17:00 - 18:00 Simulation studies on water in hydrophobic and hydrophilic environments - Part I
      • 17:00 Simulation studies on water in hydrophobic and hydrophilic environments - Part I 1h0'
        Speaker: B. SUNDARAM (JNCASR, Chemistry & Physics of Materials Unit, Bangalore, India)
        Material: lecture notes
  • Wednesday, 18 April 2007
    • 09:00 - 10:00 Dynamics of water around biomolecules: Computer simulation studies - Part I
      • 09:00 Dynamics of water around biomolecules: Computer simulation studies - Part I 1h0'
        Speaker: S. BANDYOPADHYAY (IIT, Chemistry, Molecular Modeling Lab., Kharagpur, India)
        Material: lecture notes
    • 10:00 - 10:30 Coffee break
      • 10:00 Coffee break 30'
    • 10:30 - 11:30 Neutral water clusters: solvation and reactions
      • 10:30 Neutral water clusters: solvation and reactions 1h0'
        Speaker: U. BUCK (MPI for Dynamics & Self Organization, Goettingen, Germany)
        Material: lecture notes
    • 11:30 - 12:30 Studies of the hydrophobic effect from simulations of methane in water
      • 11:30 Studies of the hydrophobic effect from simulations of methane in water 1h0'
        Speaker: K. SZALEWICZ (Univ. of Delware, Physics & Astronomy, Newark, U.S.A.)
        Material: lecture notes
    • 12:30 - 14:30 Lunch break
      • 12:30 Lunch break 2h0'
    • 14:30 - 15:30 Dynamic aspects of non-covalent interactions: hydrogen bonds
      • 14:30 Dynamic aspects of non-covalent interactions: hydrogen bonds 1h0'
        Speaker: A. LUZAR (Virginia Commonwealth Univ. Chemistry, Richmond, U.S.A.)
        Material: lecture notes
    • 15:30 - 16:15 The mechanical stabilization effect of water on a membrane-like system
      • 15:30 The mechanical stabilization effect of water on a membrane-like system 45'
        Speaker: L. CASALIS (Sincrotrone Trieste, AREA Science Park, Trieste, Italy)
        Material: lecture notes
    • 16:15 - 17:00 Collective dynamics of water: the experimental side
      • 16:15 Collective dynamics of water: the experimental side 45'
        Speaker: F. BENCIVENGA (Elettra Sincrotrone, Area Science Park, Trieste, Italy)
        Material: lecture notes
    • 17:00 - 17:30 Coffee break
      • 17:00 Coffee break 30'
    • 17:30 - 19:00 POSTER SESSION
      • 17:30 POSTER SESSION 1h30'
  • Thursday, 19 April 2007
    • 09:00 - 10:00 Clathrates: Summary of recent structural and dynamical studies
      • 09:00 Clathrates: Summary of recent structural and dynamical studies 1h0'
        Speaker: D. KLUG (NRC, Steacie Inst. for Molecular Sciences, Ottawa, Ontario, Canada)
        Material: lecture notes
    • 10:00 - 10:30 Coffee break
      • 10:00 Coffee break 30'
    • 10:30 - 11:30 Simulation studies on water in hydrophobic and hydrophilic environments - Part II
      • 10:30 Simulation studies on water in hydrophobic and hydrophilic environments - Part II 1h0'
        Speaker: B. SUNDARAM (JNCASR, Chemistry & Physics of Materials Unit, Bangalore, India)
        Material: lecture notes
    • 11:30 - 12:30 Nonlinear spectroscopy of water surfaces - Part III
      • 11:30 Nonlinear spectroscopy of water surfaces - Part III 1h0'
        Speaker: Hongfei WANG (CAS, Inst. Chemistry, Molecular Dynamics Lab., Beijing, China)
        Material: lecture notes
    • 12:30 - 14:30 Lunch break
      • 12:30 Lunch break 2h0'
    • 14:30 - 15:30 (A) SFG spectra of water-containing systems (B) Defect activity in crystal and amorphous ice
      • 14:30 (A) SFG spectra of water-containing systems (B) Defect activity in crystal and amorphous ice 1h0'
        Speaker: V. BUCH (The Hebrew Univ. of Jerusalem, Physical Chemistry, Jerusalem, Israel)
        Material: lecture notes
    • 15:30 - 16:30 Dynamic aspects of non-covalent interactions: liquid-to-vapor transition
      • 15:30 Dynamic aspects of non-covalent interactions: liquid-to-vapor transition 1h0'
        Speaker: A. LUZAR (Virginia Commonwealth Univ., Chemistry, Richmond, U.S.A.)
        Material: lecture notes
    • 16:30 - 17:00 Coffee break
      • 16:30 Coffee break 30'
    • 17:00 - 18:00 Dynamics of water around biomolecules: Computer simulation studies - Part II
      • 17:00 Dynamics of water around biomolecules: Computer simulation studies - Part II 1h0'
        Speaker: S. BANDYOPADHYAY (IIT, Chemistry, Molecular Modeling Lab., Kharagpur, India)
        Material: lecture notes
  • Friday, 20 April 2007
    • 09:00 - 10:00 Tuning the surface hydrophobicity
      • 09:00 Tuning the surface hydrophobicity 1h0'
        Speaker: A. LUZAR (Virginia Commonwealth Univ., Chemistry, Richmond, U.S.A.)
        Material: lecture notes
    • 10:00 - 10:30 Coffee break
      • 10:00 Coffee break 30'
    • 10:30 - 11:30 Water at biological interfaces (theory) - Part II
      • 10:30 Water at biological interfaces (theory) - Part II 1h0'
        Speaker: S. RAUGEI (S.I.S.S.A., Statistical and Biological Physics Sector, Trieste, Italy)
        Material: lecture notes
    • 11:30 - 12:30 Electrons at water surfaces (theory)
      • 11:30 Electrons at water surfaces (theory) 1h0'
        Speaker: S. SCANDOLO (I.C.T.P, Condensed Matter, Trieste, Italy)
        Material: lecture notes
    • 12:30 - 12:45 CLOSING REMARKS
      • 12:30 CLOSING REMARKS 15'
    • 12:45 - 14:00 Lunch / Departure
      • 12:45 Lunch / Departure 1h15'
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