Conference Program
Download the conference program Program timetable
Wednesday, 5 September
17.40-18.00: Conference opening
Session 1 (chair: Pál
Jedlovszky):
18.00-19.00:
Gábor Pálinkás
(Budapest, Hungary):
Characterization of supramolecular associations in solution
19.00-21.00: Welcome reception
Thursday, 6 September
Session 2 (chair:
Hajime Torii):
08.30-09.30:
Colin Bain
(Durham, UK):
Micelle processes at surfaces and in solution
09.30-09.50:
Martin Lísal (Prague, Czech Republic):
Chiral
room-temperature ionic liquids: insight from molecular dynamics simulations
09.50-10.10:
Ralf Ludwig
(Rostock, Germany):
Low-frequency modes of protic molten salts and ionic liquids:
detecting and quantifying hydrogen bonding
10.10-10.30:
Bogdan Marekha
(Kiev, Ukraine):
Microscopic structure of ion pairs formed by [Bmim+BF4−]
and [Bmim+TfO−]
10.30-11.00: Coffee break
Session 3 (chair:
Philippe Bopp):
11.00-12.00:
Miguel Jorge
(Porto, Portugal):
Ionic liquid interfaces: new insights from molecular simulation
12.00-12.20:
Hideaki Shirota
(Chiba, Japan):
Microscopic aspect of ionic liquid and water mixtures probed by
femtosecond raman-induced kerr effect spectroscopy
12.20-12.40: Eliane Schmidt
(Rostock, Germany):
The influence of the cation and the anion on the
diffusion coefficients of ionic liquids in different solvents
12.40-13.00:
Toshiyuki Takamuku
(Saga, Japan):
Substituent effects
on
mixing
of
ionic
liquid with
benzene
derivatives
13.00-14.30: Lunch
Session 4 (chair:
Mauro Rovere):
14.30-15.30:
Ilan Benjamin
(Santa
Cruz, USA):
Fluid interface fluctuations and chemical reactivity
15.30-15.50:
George Horvai (Budapest, Hungary):
Experiences with the ITIM model
in simulating liquid surfaces and interfaces
15.50-16.10:
Marcello Sega
(Rome, Italy):
Interfacial properties of water: an
atomistic perspective on hydrodynamic problems
16.10-16.30:
Mária Darvas
(Budapest, Hungary):
Computer simulation study of the transfer of simple and
composite ions through water/organic interface – an intrinsic approach
16.30-17.00: Coffee break
Session 5 (chair:
Myroslav Holovko):
17.00-18.00:
Geraldine Richmond (Eugene, USA):
Line ’em all up: Assembly of surfactants, macromolecules
and nanoparticles at liquid-liquid interfaces
18.00-18.20: Milan Předota (Ceske Budejovice,
Czech Republic): Molecular dynamics determination of the dynamic properties of the
solid–liquid interface
18.20-18.40: Dung di Caprio
(Paris, France):
Fluctuations effects at confining interfaces. Depletion density profiles
18.40-19.00:
Takayoshi Kimura
(Osaka, Japan):
Enthalpic interactions of chiral limonenes in some aliphatic alcohols
19.00-22.00:
Wine tasting (optional event)
Friday, 7 September
Session 6 (chair:
Renzo Vallauri):
08.30-09.30:
Marie-Paule Pileni (Paris, France):
Nanocrystallinity and supracrystallinity: a real challenge
09.30-09.50:
Mikhail Kiselev
(Ivanovo, Russia):
The conformational manifolds of drug-like molecules
as studied in combination of experimental and computational techniques
09.50-10.10:
Dominik Horinek
(Regensburg,
Germany):
Stability of peptides in urea/water
mixtures
10.10-10.30:
Dezső Boda (Veszprém, Hungary):
Selectivity and conduction of a model calcium channel studied by the NP+LEMC
method
10.30-11.00: Coffee break
Session 7 (chair:
Abdenacer Idrissi):
11.00-12.00:
Miklós Zrínyi
(Budapest, Hungary):
Complex fluids and polymer networks: a fascinating alliance
12.00-12.20:
Sofia Kantorovich
(Rome, Italy):
Structure factor of the self-assembling short DNA duplexes: theory and
coarse-grained simulations
12.20-12.40: Koji Yoshida
(Fukuoka, Japan):
Alcohol effect on structure,
dynamics, and aggregation of peptide and protein
12.40-13.00: Zuzana Benková (Porto,
Portugal):
Molecular dynamics study of water interacting with siloxane surface
modified by poly(ethylene oxide) chains
13.00-14.30: Lunch
Session 8 (chair:
Toshio Yamaguchi):
14.30-15.30:
Mikhail Avdeev
(Dubna, Russia):
Particle
interaction in polydisperse magnetic fluids: experimental aspects
15.30-15.50:
Elena Pyanzina
(Ekaterinburg, Russia):
Ground state of magnetic particles with shape anisotropy
15.50-16.10:
István Szalai
(Veszprém, Hungary): Nonlinear magnetic
properties of ferrofluids
16.10-16.30:
Elena Minina
(Stuttgart, Germany):
Various methods of pressure calculation for polydisperse ferrofluids in bulk and
confinement
16.30-17.00: Coffee break
17.00-19.00: POSTER SESSION
19.00-20.00: EMLG/JMLG Board Meeting
Saturday, 8 September
Session 9 (chair: Ivo
Nezbeda):
08.30-09.30:
Akihiro Wakisaka
(Tsukuba, Japan):
Molecular clustering inherent
in the liquid state: Effect of relativity in the intermolecular interaction
energies
09.30-09.50:
Toshio Yamaguchi
(Fukuoka,
Japan):
Thermal behaviour, structure and dynamics of low temperature water confined
in periodic mesoporous organosilica
09.50-10.10:
Mauro Rovere
(Roma, Italy):
Do ions affect the structure of
water?
Ion
hydration and structure of water in supercooled aqueous solutions: a test of the
structure making and breaking concept
10.10-10.30:
Myroslav Holovko
(Lviv, Ukraine):
The scaled particle theory for fluids in random porous media
10.30-11.00: Coffee break
Session 10 (chair:
Wojciech Gadomski):
11.00-12.00:
Maria Antonietta Ricci
(Roma,
Italy):
Proton momentum distribution and kinetic energy in
water
12.00-12.20: Ari Seitsonen (Zürich,
Switzerland): Solvation of flavonoids in
organic solvents: Study using ab initio molecular dynamics
12.20-12.40: Hajime Torii
(Shizuoka, Japan):
Electronic reorganizations
induced by intra- and intermolecular vibrational dynamics and spectral
intensities in liquid water
12.40-13.00:
Shinya Hosokawa
(Kumamoto, Japan):
Collective dynamics of molecular liquids
13.00-14.30: Lunch
14.30-19.00: Conference Excursion (to the
Miskolctapolca cave bath)
19.00-23.00: Conference Banquet
Sunday, 9 September
Session 11 (chair:
Toshiyuki Takamuku):
08.30-09.30:
Nobuyuki
Matubayasi
(Kyoto, Japan):
Effects of water and cosolvent on functional molecules in solution
09.30-09.50:
Ivo Nezbeda
(Prague, Czech
Republic):
Excluded volume versus hydrogen bonding:
Complementary or incompatible concepts?
09.50-10.10:
Nikolai Medvedev
(Novosibirsk,
Russia):
Calculation of the volumetric
characteristics on molecular dynamics models of solutions. Ability and pitfalls
10.10-10.30:
Alexander Kaiser
(Innsbruck,
Austria):
Visualization of long- and short-lived
hydrogen-bonded clusters in liquid ethylene-glycole
10.30-11.00: Coffee break
Session 12 (chair:
Richard Buchner):
11.00-11.40:
Yoshihito Osada
(Wako, Japan):
Artificial muscle - soft and wet nano-biomachine of the next era
11.40-12.00:
Koichiro Sadakane
(Tokai, Japan):
Do
ions affect the structure of water?
Ion
hydration and structure of water in supercooled aqueous solutions: a test of the
structure making and breaking concept
12.00-12.20:
Imre Bakó
(Budapest,
Hungary):
Electronic structure of liquid water
12.20-12.40:
Péter Kiss
(Budapest, Hungary):
From high pressure ice to gas clusters of water
12.40-13.00 EMLG/JMLG General Assembly
13.00-14.30: Lunch
List of Posters
Szabolcs Bálint
(Budapest, Hungary):
The structure of aqueous sodium and gallium hydroxide solutions – a
combined solution X-ray diffraction and simulation study
Marina Fedotova
(Ivanovo, Russia): 3D-RISM study of
ion-molecular complex formation of glycine zwitterion with inorganic ions in
biologically relevant aqueous
electrolyte solutions
Marina Fedotova
(Ivanovo, Russia): The hydration of
aniline and benzoic acid: Analysis of radial and spatial distribution functions
György Hantal
(Cambridge, USA):
Locality and energetics of charge transfer effects in ionic liquids
Zoltán Ható (Veszprém, Hungary): Direct simulation of steady-state diffusion by classical Monte Carlo methodologies
Silke Heckhausen
(Rostock, Germany):
Computer simulation study of molecular processes in ice and supercooled
solutions
Myroslav Holovko
(Lviv, Ukraine):
Maier-Saupe nematogenic fluid in contact with a hard wall: bulk and
surface properties
Myroslav Holovko
(Lviv, Ukraine):
Thermodynamics for a fluid of hard spherocylindrical rods in random porous
media
Yuka Horikawa
(Tokyo, Japan):
Electronic state of liquid molecules observed by soft
X-ray emission spectroscopy
Shinya Imura
(Fukuoka, Japan):
Molecular dynamic simulation of 10 residues peptide in fluoroalcohol -
water mixtures
Yutaro Inada
(Kusatsu, Japan):
High-pressure solubility of
benzene in water at temperatures between 288.2 K and 318.2 K
Angéla Jedlovszky-Hajdú
(Budapest, Hungary):
Magnetoresponsive 2D and 3D electrospun scaffold for tissue engineering
Angéla Jedlovszky-Hajdú
(Budapest, Hungary):
The effect of adsorbed carboxyl groups
on magnetite nanoparticles in water relaxation
Jan Jirsák
(Ústí nad Labem, Czech Republic):
Hydration thermodynamics of nonpolar
solutes by simple molecular models
Yasuo Kameda
(Yamagata, Japan):
Solvation structure of Li+
in concentrated LiPF6-DMC
solutions studied by neutron diffraction with
6Li/7Li
isotopic substitution method
Alexandra Kim
(Novosibirsk, Russia):
MD-study of volumetric and hydrophobic properties of the amphipile
molecule C8E6
Ekaterina Krutikova
(Ekaterinburg, Russia):
Anisotropy of a structure factor of polydisperse magnetic nanofluids
under an external field
Elena Minina
(Stuttgart, Germany):
Virial coefficients for the systems of magnetic dipolar spheres: the
influence of confinement
Maurizio Musso
(Salzburg, Austria):
The noncoincidence effect of the overtone of the C=O stretching mode of
acetone
Bernd Mühldorf
(Regensburg, Germany):
Dynamics, hydration and ion association in aqueous solutions of ionic
liquids based on oligoether carboxylates
Saidmuhamad Odinaev
(Dushanbe, Tajikistan):
Investigation of the
law of corresponding states
for the
viscous
properties of classical liquids
Saidmuhamad Odinaev
(Dushanbe, Tajikistan):
On the determination
of the range of frequency dispersion of dynamical coefficients of viscosity of
aqueous solutions
of electrolytes
Stanislav Pařez
(Prague, Czech Republic):
Determination of distance-dependent viscosity of mixtures in parallel
slabs using non-equilibrium molecular dynamics
Stanislav Pařez
(Prague, Czech Republic): Mutual
diffusion in the ternary mixture water + methanol + ethanol and its binary
subsystems
Dietmar Paschek
(Rostock, Germany):
Computer simulation of the OH/D stretching band of liquid water as a
function of temperature and pressure
Kamil Polok
(Warsaw, Poland):
Dynamics in ethanol/water mixtures: Optical Kerr Effect and simulation
study
Milan Předota
(Ceske Budejovice, Czech Republic):
Electrokinetic properties of the
rutile/water interface: Zeta-potential prediction from computer simulations
Elena Pyanzina
(Ekaterinburg, Russia):
Pressure and correlations in systems of anisotropic dipolar particles
Dimitriy Rozhkov
(Ekaterinburg, Russia):
The effect of a wedge on the ionic distribution
of an electrolyte solution
Marcin Rybicki
(Lodz, Poland):
Solvation of
biologically important ions in
water-acetonitrile mixtures: MD simulation studies
Seiji Sawamura
(Kusatsu, Japan):
Compressibility phenomena of the
partial molar volume of L-valine in water
Volodymyr Sergiievskyi
(Glasgow, UK):
The optimal closure for 3DRISM calculations
Jiří Škvor (Ústí nad Labem, Czech Republic):
Morphological analysis of self-assembled diblock copolymer structures in
dissipative particle dynamics simulations
Jiří Škvor (Ústí
nad Labem, Czech Republic):
Simulations of hard/pseudo-hard body mixtures
Thomas Sonnleitner
(Regensburg, Germany):
Dynamics of ethylammonium nitrate and its mixtures with acetonitrile
Joanna Szala-Bilnik
(Lodz, Poland): Hydration mechanisms and
vibrational spectrum of
·OH
radical in liquid and supercritical water
Elena Tsurko
(Kharkiv, Ukraine):
Thermodynamic functions of dissociation and solvation of aliphatic amino acids
in H2O-MeOH, H2O-EtOH, H2O-PrOH-2
Ivan Vyalov
(Leipzig, Germany):
Extracting bridge functions from molecular simulations
Ryoichi Wada
(Kusatsu, Japan): Solvent and pressure
effects on
conformational equilibria of 1,2-dimethoxyethane and dimethoxymethane: A
Raman spectroscopic study
Norio Yoshida
(Fukuoka, Japan): Developments of
molecular Ornstein-Zernike self-consistent field theory and its applications
Miklós Zrínyi
(Budapest, Hungary): Heat conduction in
microgels
István Borzsák (Miskolc, Hungary): Strain rate dependent shear viscosity of liquid methane