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New outlook on molecular liquids
from short scale to long scale dynamics
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Conference Program (PDF version) |
| Sunday, 11 September |
| University of Warsaw, Krakowskie Przedmieście Street 26/28 |
| Kazimierzowski Palace |
| 16:00- 19:00 Registration |
| 19:00-21:00 Welcome reception |
| Monday, 12 September |
| Hotel Sofitel Victoria, Piłsudski Square |
| Conference Hall, Ground Floor |
| 8:00-8:30 Registration |
| Chaired by Wojciech Gadomski |
| 8:20-9:00 Opening Session |
| Chaired by Jack Yarwood |
| 9:00-9:50 Invited Lecture |
| Richard Stratt, "Solute-pump/solvent-probe spectroscopies: What do they really see"" |
| Oral presenations: |
| 9:50-10:10 |
| Hajime Torii, "How the electronic motions are coupled to nuclear motions in liquids: The cases of water and related systems" |
| 10:10-10:30 |
| Santiago Lago, "Multipole square well perturbation theory: New findings and review" |
| 10:30-11:00 Coffee break |
| Chaired by Richard Buchner |
| 11:00-11:50 Invited lecture |
| Roberto Righini, "Structure and dynamics of molecular liquids and solutions from nonlinear time resolved spectroscopy" |
| Oral presentations: |
| 11:50-12:10 Invited |
| Gotard Burdziński , Studies of photochemical Wolf Rearrangement by Femtosecond UV-vis and IR spectroscopy |
| 12:10-12:30 |
| Maria Grazia Giorgini, ""Molecular dynamics of liquid acetone determined by Depolarized Rayleigh and low-frequency Raman scattering spectroscopy" |
| 12:30-14:00 Lunch |
| Chaired by Maurizio Musso |
| 14:00-14:50 Invited Lecture |
| Klaas Wynne, "Terahertz dynamics of water in eutectic LiCl solution: bulk water and worm-hole structures" |
| Oral presentations: |
| 14:50-15:10 |
| Andrea Taschin, "Vibrations and relaxation of supercooled water by time-resolved optical Kerr effect spectroscopy" |
| 15:10-15:30 |
| Kamil Polok, "A simulation study of the Optical Kerr Effect in methanol/acetone mixtures" |
| 15:30-16:00 Coffee break |
| Chaired by Bożena Ratajska-Gadomska |
| 16:00-19:00 Poster Presentation |
| The posters will remain on the boards in the conference room during the whole conference. The list of posters can be found bellow. |
| Tuesday, 13 September |
| Hotel Sofitel Victoria, Piłsudski Square |
| Conference Hall, Ground Floor |
| Chaired by Renzo Vallauri |
| 9:00-9:50 Invited Lecture |
| Anders Nilsson, " X-Rays shines light on the water mystery" |
| Oral presentations: |
| 9:50-10:10 |
| Maria Antonietta Ricci, " Is there a riskless way to enter the water's no-man's land"" |
| 10:10-10:30 |
| Pál Jedlovszky, " Structure of coexisting liquid phases of supercooled water; analogy with ice polymorphs" |
| 10:30-11:00 Coffee break |
| Chaired by Toshiyuki Takamuku |
| Oral presentations: |
| 11:00-11:20 |
| Renzo Vallauri, "Dynamical properties of supercooled water close to the liquid-liquid coexistence lines" |
| 11:20-11:40 |
| Dietmar Paschek, " The liquid-liquid phase transition of water: consequences for hydrophobic interaction and protein stability" |
| 11:40-12:00 |
| Toshio Yamaguchi, " Structure of water and methanol-water mixture from ambient to 4GPa by energy dispersive X-ray and neutron diffraction and EPSR modeling" |
| 12:00-12:20 |
| Henryk Drozdowski, "Structural studies of selected molecular liquids: present state and perspectives" |
| 12:30-14:00 Lunch |
| Chaired by Pál Jedlovszky |
| 14:00-14:50 Invited Lecture |
| Damien Laage, "Dynamics of water next to ions and proteins" |
| Oral presentations: |
| 14:50-15:10 |
| Marco Paolantoni, "Fast rearrangement dynamics of water in the protein hydration shell: the view from extended depolarized light scattering experiments" |
| 15:10-15:30 |
| Dmitry Nerukh, "The decisive role of water in elementary conformational transitions of peptide" |
| 15:30-16:00 Coffee break |
| Chaired by Abdenacer Idrissi |
| Oral presentations: |
| 16:00-16:20 |
| Vitaliy Bardik, " Dynamic phase transition in water at 42oC and its role in protein thermal denaturation" |
| 16:20-16:40 |
| Volodymyr Sergiievskyi, "Fast multi-grid solvers of RISM and 3-D RISM equations for accurate calculations of hydration free energy" |
| 16:40-17:00 |
| Bernarda Kezić , "Accurate evaluation of structural correlations in realistic liquids: a RISM-based approach" |
| 17:30 departure for Chopin concert |
| 18:30-19:30 Chopin concert |
| Wednesday 14 September |
| Hotel Sofitel Victoria, Piłsudski Square |
| Conference Hall, Ground Floor |
| Chaired by Toshio Yamaguchi |
| 9:00-9:50 Invited Lecture |
| Huib Bakker, " Ultrafast dynamics of water near ions and hydrophobes" |
| Oral presenations: |
| 9:50-10:10 |
| Hafiz Muhammad Abd Ur Rahman, "Dielectric relaxation spectroscopy of hydrophilic and hydrophobic hydration in aqueous alkylcarboxylates" |
| 10:10-10:30 |
| Andrey Lyashchenko, "From elementary motion to dielectric relaxation and thermodynamic properties of water in electrolyte solutions" |
| 10:30-11:00 Coffee break |
| Chaired by Hajime Torii |
| 11:00-11:50 Invited lecture |
| Stephen Meech, " Ultrafast reactions in nanoconfined water" |
| Oral presentations: |
| 11:50-12:10 |
| Oleg Kalugin, "Molecular dynamics simulations of molecular liquids and electrolyte solutions confined by carbon nanotubes" |
| 12:10-12:30 |
| Katsura Nishiyama, "Solvent effects on electronic structures of Coumarin 153. II. Comparison between RISM-SCF calculations and fluorescence Stokes-shift spectroscopy" |
| 12:30-14:00 Lunch |
| Chaired by Maria Grazia Giorgini |
| 14:00-14:50 Invited Lecture |
| Halina Abramczyk, "Ultrafast primary events and Raman imaging at biological interfaces. Medical applications in human breast cancer diagnostics" |
| Oral presentations: |
| 14:50-15:10 |
| Shinya Hosokawa, "Collective dynamics of Molecular liquids" |
| 15:10-15:30 |
| Laurence Noirez, "Finite shear-elasticity in glass formers and viscous liquids" |
| 15:30-16:00 Coffee break |
| Chaired by Ewa Hawlicka |
| Oral presentations: |
| 16:00-16:20 |
| Lucia Comez, "Acoustic Dissipation and Density of States in Molecular Systems: From Liquid to Glas's" |
| 16:20-16:40 |
| Franjo Sokolić, "Structural changes in mixtures: ultrasonics, Brillouin scattering and molecular dynamics studies" |
| 16:40-17:00 |
| Ivan Vyalov, "Modeling solvation of cellobiose in supercritical CO2 and its mixtures with acetone and ethanol" |
| 17:00-17:30 |
| EMLG/JMLG Board Meeting |
| 20:00-24:00 Conference Dinner |
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| Thursday 15 September |
| Hotel Sofitel Victoria, Piłsudski Square |
| Conference Hall, Ground Floor |
| Chaired by Philippe Bopp |
| 9:00-9:50 Invited Lecture |
| Hideaki Shirota, "Interionic vibrations of ionic liquids probed by femtosecond Raman-induced Kerr effect spectroscopy" |
| Oral presenations: |
| 9:50-10:10 |
| Glenn Hefter, "Chemical speciation, structure and dynamics of ionic liquid + acetonitrile mixtures" |
| 10:10-10:30 |
| Toshiyuki Takamuku, "Cluster of imidazolium-based ionic liquid in benzene solutions" |
| 10:30-11:00 Coffee break |
| Chaired by Wojciech Gadomski |
| Oral presentations: |
| 11:00-11:20 |
| Claude Millot, "Molecular dynamics simulation of 1,3-dimethylimidazolium chloride using distributed polarizability models" |
| 11:20-11:40 |
| Wolffram Schröer, Long range fluctuations in ionic liquids |
| 11:40-12:00 |
| Eliane Schmidt, "Diffusion coefficients of imidazolium based ionic liquids in water, methanol and acetonitrile" |
| 12:00-12:30 |
| EMLG/JMLG Assembly |
| 12:00-12:30 Closing Session |
| 12:30-14:00 Lunch |
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IR-study of water-scCO2-RbCl system
Hydration of acetic acid and acetate ion in water studied by 1D-RISM theory
The local structure of the water rich phase in ternary water-scCO2-LiCl mixture
Water dynamics in sugar aqueous solutions: molecular dynamics simulations and depolarized light scattering experiments
Acoustic Dissipation and Density of States in Molecular Systems: From Liquid to Glass
Building and simulating large scale nafion/water systems
The structural organization of dipolar liquids in electrolytic solutions probed by the noncoincidence effect:The case of Li+/propylene carbonate solutions
The noncoincidence effect of the overtone of the C=O stretching mode of acetone
Molecular Dynamics simulation of translational and rotational diffusion of quinoline and isoquinoline in liquid phase
Dielectric Relaxation Spectroscopy of the Biocompatible Surfactants Choline Dodecylsulfate and Choline Dodecanoate
Hydration of Phosphate Ions in Aqueous solutions of K3PO4, K2HPO4, KH2PO4 and KPO2(OMe)2
Molecular dynamics simulations of liquid ethylene glycol and its mixtures with water
Investigation of frequency dispersion of elasticity modules of simple liquids
On determination of the field of frequency dispersion of shear viscosity of simple liquids in dependence of nature of attenuation of relaxation currents
Effect of ions on critical phenomena in confined binary mixture
Application of Raman spectroscopy for breast cancer diagnosis
Small-Angle Neutron Scattering and Soft X-ray Emission Study of Water / Organic Solvent / Antagonistic Salt
The effect of pressure on the secondary structure of S-peptide and C-peptide analog
Molecular dynamics studies on Mg2+ solvation in water-methanol solutions of MgCl2
Ultrafast Reorientation of Dangling O-H Groups at the Air/Water Interface
Shifts of stretching vibration of the hydrated OH radical – MD simulation study
Binding of tetraethylammonium to KcsA channel study by 3D-RISM
Solvent Effects on Electronic Structures of Coumarin 153. I. RISM-SCF Analysis of the Solvent Distribution and Electronic properties
A new approach for investigating the molecular recognition of protein toward structure-based drug design based on 3D-RISM theory
Phase transitions of oleic acid in a pure state and in human breast tissue as studied by Raman spectroscopy and Raman imaging
Temperature Dependence of Effect of Hydrophobic Hydration on Water Molecules in Lower Alcohol Aqueous Solutions
Urea aqueous solutions: A vibrational spectroscopy analysis
The low frequency Raman scattering of lysozyme: a probe of unfolding and aggregation processes
Simulation of Ice and Cryoprotectant Solutions:Structure and Dynamics
Hydration of metal complexes of sulphonated phthalocyanines
Molecular dynamics study of the dielectric relaxation of tetrahydrofuran and dimethylformamide aqueous solutions
Proton transport in narrow ionomer pores
Liquid phase behavior of tetrafluoroborate ionic liquids with polyhydric alcohols
Miscibility of 1-alkyl-3-methylimidazolium bis(trifluoromethyl)sulfonyl imides with benzene and deuterated benzene
Intermolecular structure and intramolecular charge reorganization in methanol/acetone mixtures: vibrational and NMR spectroscopy analysis
Probing slow dynamics by ultrafast process: sol-gel transition detected by transient absorption spectroscopy of quantum dots
Ultrafast dynamics and structure of ethanol-water mixtures - molecular dynamics study
Computer Simulation Study of the Transfer of Simple and Composite Ions through Water /Organic Interface -An Intrinsic Approach