Program

Poster Session

Odd number ... Poster Session 1 (Monday, November 5, 17:10–18:50)
Even number ... Poster Session 2 (Tuesday, November 6, 10:50–12:30)

P001

CO₂ solubility and physical properties for imidazolium-based ionic liquids with cyano-anions

Mitsuhiro Kanakubo, Takashi Makino

P002

Free energy landscape of CO₂ at ionic liquid surface studied by molecular dynamics simulation

Tetsuro Nagai, Kazushi Fujimoto, Takahiro Teramoto, Hiroshi Ohoyama

P003

The Li⁺ local structure and liquid structure of various Li-glyme solvate ionic liquids

Nana Arai, Hikari Watanabe, Shiro Seki, Seiji Tsuzuki, Erika Nozaki, Kazuhide Ueno, Kaoru Dokko, Masayoshi Watanabe, Yasuo Kameda, Yasuhiro Umebayashi

P004

A study on thermodynamics for complex formation of Ni²⁺ with alcohols in ionic liquid, C₂mimTFSA

Akira Ogawa, Yutaro Kawazu, Hiroyuki Sakurai, Koichiro Sadakane, Hiroki Iwase, Kazuhiko Ozutsumi, Toshiyuki Takamuku

P005

Complex formation of Ni²⁺ in mixed solvents of imidazolium-based ionic liquid, C₂mimTFSA, with two cycloethers

Takahiro Ikeda, Yutaro Kawazu, Koichiro Sadakane, Hiroki Iwase, Kazuhiko Ozutsumi, Toshiyuki Takamuku

P006

Crystal polymorphs and multiple pathways of room-temperature ionic liquids under high pressure

Hiroshi Abe, Takahiro Takekiyo, Yukihiro Yoshimura, Nozomu Hamaya

P007

Phase behavior of a series of 1-alkyl-1-methylpyrrolidinium bis(trifluoromethanesulfonyl)imide homologues under stressed condition

Yoshihiro Koyama, Takahiro Takekiyo, Kiyoto Matsuishi, Hiroshi Abe, Yukihiro Yoshimura

P008

How does pressure influence the mesoscopic organization in ionic liquids?

Olga Russina, Fabrizio Lo Celso, Alessandro Triolo

P009

Solvation and dissolution of simple sugars in water and an ionic liquid

György Hantal, Marcello Sega, Elixabete Rezabal, Christoph Dellago

P010

UCST-type phase separation for mixtures of imidazolium-based ionic liquids, C_nmimTFSA, and cycloethers studied by NMR, IR spectroscopy, and SANS

Masahiro Kawano, Koichiro Sadakane, Hiroki Iwase, Toshiyuki Takamuku

P011

Preparation and properties of ionic liquid membranes

Karolina Machanová, Lenka Morávková, Zuzana Petrusová

P012

Microscopic mixing states of ionic liquid, C₈mimBF₄, with acetonitrile, methanol, and dimethyl sulfoxide studied by NMR and ATR-IR

Atsuya Tashiro, Masatoshi Ando, Hiroyuki Sakurai, Hideaki Shirota, Toshiyuki Takamuku

P013

Intermolecular dynamics of 1-methyl-3-octylimidazolium tetrafluoroborate and acetonitrile mixtures

Masatoshi Ando, Atsuya Tashiro, Hiroyuki Sakurai, Toshiyuki Takamuku, Hideaki Shirota

P014

Molecular dynamics studies of aromatic and aliphatic moieties in charge-inverted ionic liquids

Karina Shimizu, José N. Canongia Lopes

P015

Air-water interface evolution in mixtures of ionic liquids and cationic surfactants investigated by molecular dynamics simulations

Adilson A. Freitas, Karina Shimizu, José N. Canongia Lopes

P016

Frequency-dependent shear viscosity and electric conductivity of the solutions of polyethylene glycol in imidazolium-based ionic liquids

Takujiro Kikuzawa, Tsuyoshi Yamaguchi

P017

Transport properties of ionic liquids with advanced non-polarizable force fields based on first-principles calculations

Yoshiki Ishii, Ryosuke Ishizuka, Nobuyuki Matubayasi

P018

Stepwise formation of hydrogen bonds in 1-butyl-3-methylimidazolium tetrafluoroborate and water mixtures

Yukihiro Yoshimura, Takahiro Mori, Takahiro Takekiyo, Kazuyoshi Kaneko, Akio Shimizu

P019

Spectroscopic study on the H/D exchange reaction of water locally situated in ionic liquids

Takahiro Mori, Kazuyoshi Kaneko, Koji Nogami, Akio Shimizu, Takahiro Takekiyo, Yukihiro Yoshimura

P020

Dynamic properties of 1-butyl-3-methylimidazolium tetrafluoroborate/water mixture with various temperatures

Kazuyoshi Kaneko, Takahiro Mori, Yuichi Masuda, Yukihiro Yoshimura, Akio Shimizu

P021

Effects of the alkyl chain lengths of alcohol on phase behavior of imidazolium-based ionic liquid + alcohol solutions

Masahiro Usui, Takuya Shimomura

P022

Physicochemical properties and self-diffusion coefficients of imidazolium-based ionic liquid+2-propanol mixtures

Takuya Shimomura, Yuki Kohno, Mitsuhiro Kanakubo

P023

A combined computational and experimental study on the accumulation of water molecules in ionic liquids near solid/liquid interfaces

Takeshi Kobayashi, Andre Kemna, Björn Braunschweig, Maria Fyta, Jens Smiatek

P024

Ionic conduction and speciation analysis of protic solvate ionic liquid: Fe((CF₃SO₂₎₂N)₃ hydrate melt

Hikari Watanabe, Erika Nozaki, Nana Arai, Yasuhiro Umebayashi

P025

Fluorescent probe dependence of the solvation dynamics in ionic liquid BmimBF₄ and propylene carbonate mixtures: a time-resolved fluorescence and quantum chemistry study

François-Alexandre Miannay, Yevheniia Smortsova, Volodymyr Koverga, Julien Dubois, Oleg Kalugin, Abdenacer Idrissi

P026

Photo-excitation dynamics of p-nitroaniline compounds in ionic liquids: Effect of alkyl-chain length of cations

Yoshifumi Kimura, Teppei Fukui, Shinya Okazoe, Hanamichi Miyabayashi, Takatsugu Endo

P027

Photocycle reaction of photoactive yellow protein in hydrate ionic liquids

Utana Umezaki, Kana Onodera, Suhyang Kim, Yusuke Nakasone, Masahide Terazima, Takatsugu Endo, Yoshifumi Kimura

P028

Relaxation in lithium ion battery electrolyte: Coupling to medium friction

Kajal Kumbhakar, Kallol Mukherjee, Ejaj Tarif, Ranjit Biswas

P029

Application of QM/MM-red moon method to solid electrolyte interphase film formation in lithium-ion battery system

T. Fujie, N. Takenaka, Y. Suzuki, M. Nagaoka

P030

S₈ local structure in CS₂ solution revealed by neutron total scattering experiments with ³²S/³⁴S isotropic substitution technique

Nana Arai, Yasuo Kameda, Hikari Watanabe, Erika Nozaki, Seiji Tsuzuki, Yasuhiro Umebayashi

P031

Terahertz investigation of the temperature dependence of charge localization of polyaniline composite

Lou Serafin M. Lozada, Alvin Karlo G. Tapia, Keisuke Tominaga

P032

Effect of arginine on the formation of eutectic liquids with malic acid

Takeru Kawamura, Toshiyuki Takamuku, Tatsuya Umecky

P033

Preparation and CO₂ chemisorption of eutectic liquids with guanidine

Tatsuya Umecky, Akihiro Goto, Naoki Hayashi, Kazuki Eguchi, Toshiyuki Takamuku

P034

Interaction of water with simple carbohydrate in urea + carbohydrate deep eutectic solvents

Ejaj Tarif, Ranjit Biswas

P035

Water-methanol mixtures: microscopic investigations of their peculiar mixing properties

J-C. Soetens, C. Guimpier, F-J. Torres, P-A. Bopp

P036

Brownian motion probe for water + methanol, + ethanol, + 1-propanol, and + 2-methyl-2-propanol inhomogeneous mixtures

Kazuki Furukawa, Sumito Kuronuma, Ken Judai

P037

Temperature induced changes in the hydrogen-bond network of isopropanol-water mixtures at low isopropanol concentration range

Szilvia Pothoczki, László Pusztai, Imre Bakó

P038

Behavior of 2,2,2-trifluoroethanol in binary solvent mixtures studied by near infrared spectroscopy and principal component analysis

Sachi Takeda, Norio Yoshimura, Masao Takayanagi

P039

Vapor-liquid equilibrium and thermodynamic property of 1,1,2,2,3,3,4-heptafluorocyclopentane + alkanol system

T. Tanimoto, S. Nagata, H. Ogawa, F. Kimura

P040

Vapor-liquid equilibrium for binary systems containing 1,1,2,2-tetrafluoro-1-(2,2,2-trifluoroethoxy)ethane

Kaoru Yamaguchi, Shimpei Nagata, Hideo Ogawa, Fumio Kimura

P041

Distribution for each phase on liquid-liquid equilibrium of ternary systems containing perfluorohexane

Junko Funayama, Simpei Nagata, Hideo Ogawa, Fumio Kimura

P042

Analysis of solubility and diffusivity in ternary solution with mesoscale inhomogeneity by molecular dynamics simulation

Kenta Hara, Yoshiki Ishii, Seishi Shimizu, Nobuyuki Matubayasi

P043

Phase Diagram of water and lithium by van der Waals equation of state

Yosuke Kataoka

P044

New determination of partial structure functions of liquid water

Yasuo Kameda, Yuko Amo, Takeshi Usuki, Yasuhiro Umebayashi, Kazutaka Ikeda, Toshiya Otomo

P045

Raman lowest frequency mode in liquids: Temperature dependence of H₂O and D₂O

Takuya Oomura, Yuko Amo, Yasuo Kameda, Takeshi Usuki

P046

Molecular dynamics simulations of amorphous silica/water interfaces

Tatsuya Joutsuka, Kyoko Obata, Akihiro Morita

P047

Theoretical study of collective rotational motion in ionic aqueous solutions

Norifumi Moritsugu, Takahumi Nara, Shin-ichi Koda, Keisuke Tominaga, Shinji Saito

P048

A model for electrostatic polarization of hydrogen-bonded water based on electron density variations

Hironobu Ito, Hajime Torii

P049

Connecting hydrogen-bond network rearrangements and diffusional molecular motions in supercooled water

Takuma Kikutsuji, Kang Kim, Nobuyuki Matubayasi

P050

Variation of near-infrared absorption spectrum of water by mixing alkane polyamines

Shori Ito, Norio Yoshimura, Masao Takayanagi

P051

Adsorption of methylamine on amorphous ice under interstellar conditions. A grand canonical Monte Carlo study

Réka Anna Horváth, György Hantal, Sylvain Picaud, Milán Szőri, Pál Jedlovszky

P052

Molecular dynamics study on filled ice hydrogen hydrates

A. Harada, Y. Arman, S. Miura

P053

Variational path integral molecular dynamics study on protonated water clusters

Hiroki Sugisawa, Tomonori Ida, Shinichi Miura

P054

Development of the DFTB/MM-RPMD method to study proton transfer reactions in solution

Kento Kosugi, Hiroshi Nakano, Hirofumi Sato

P055

Thermodynamic view of hydrogen bond between fluorinated hydrocarbon and ether

Shimpei Nagata, Hideo Ogawa, Fumio Kimura

P056

Molecular dynamics simulation of water sorbed to poly(2-methoxyethyl acrylate)

Nobuhiro Yasoshima, Nobuyuki Matubayasi, Makoto Gemmei-Ide, Tatsuya Ishiyama

P057

Intermolecular interaction of water and polytetrafluoroethylene (PTFE) analyzed by molecular dynamics simulation and a theory of solutions

Kensuke Kihara, Nobuyuki Matubayasi

P058

All-atom analysis of adsorption onto a variety of crystal surfaces using MD simulation with explicit solvent

Naoki Yamamoto, Nobuyuki Matubayasi

P059

Theoretical study of the solvation structure around organic crystal surface with DFTB/3D-RISM

S. Nakataki, Y. Nishimoto, K. Awaga, D. Yokogawa

P060

Ab initio molecular dynamics study of aqueous sulfuric acid on lead surface

Yoshiyuki Kubota

P061

Adsorbed water dynamics on TiO₂ surface by broadband dielectric spectroscopy

Y. Hiramatsu, N. Yamamoto, T. Tachikawa, K. Tominaga

P062

The electronic structure of acetic acid in 1-methylimidazole solution observed by soft X-ray spectroscopy

Noriko Yoshimura, Hikari Watanabe, Yasuhiro Umebayashi, Masaki Oura, Yuka Horikawa

P063

Development of an in-situ liquid flow cell and sulfur K-edge XAFS analysis of sulfite in aqueous solution

Daisuke Nishio, Kenji Komaguchi, Shinjiro Hayakawa

P064

The solvatochromism and the photophysics of indoline derivated dyes for DSSCs

Yevheniia Smortsova, François-Alexandre Miannay, Hanna Oher, Oleg N. Kalugin, Abdenacer Idrissi

P065

Li⁺ local structure and liquid structure in super-concentrated Li salt aqueous solutions revealed by scattering techniques

Erika Nozaki, Hikari Watanabe, Kazuhide Ueno, Kenta Fujii, Nana Arai, Shiro Seki, Kaoru Dokko, Masayoshi Watanabe, Yasuo Kameda, Yasuhiro Umebayashi

P066

Hydration of lanthanide with ESI-MS and FAB-MS

Shohei Ogawa, Miho Tanaka

P067

Clustering in aqueous solutions of TMAO, TBA and urea

Evgenii D. Kadtsyn, Alexey V. Anikeenko, Nikolai N. Medvedev

P068

Solvation of amino acids by fluorinated alcohol through the CF···HC blueshift hydrogen bonds studied by NMR, IR, and MD simulation

Takahiro To, Masaru Matsugami, Toshiyuki Takamuku

P069

Electrostatic understanding and modeling of the solvation-induced changes in the vibrational frequencies and the NMR chemical shifts

Hajime Torii

P070

Formamide solutions of Ca²⁺ as studied by infrared spectroscopy and quantum chemical calculations

Kazuhiko Ohashi, Nobutaka Hikiishi, Hayato Takeshita

P071

Double glass transition behavior of aqueous tetraethylammonium salts solutions

Takahiro Takekiyo, Yukihiro Yoshimura

P072

Origins of heat generation on mixing water and an amphiphile

K. Mizuno, T. Sumikama, Y. Tamai, M. Tani

P073

Sigma enlarging bridge correction for an accurate evaluation of solvation free energy of Lennard-Jones fluids: An attempt to utilize molecular simulation in preparing solvent-solvent correlation function

Tatsuhiko Miyata, Takahiro Fujii, Daigo Yano, Yu Ogasawara, Yuki Ebato

P074

Correction term for 3D-RISM solvation free energy functional based on reference-modified density functional theory

Yutaka Maruyama

P075

A novel method to find minimum free energy path in condense phase processes using string method combined with RISM theory

Hiroshi Iwasaki, Yuto Mizutani, Shinichi Miura

P076

The ground state of helium-4 and para-hydrogen binary clusters by the variational path integral molecular dynamics method

Yusuke Taniguchi, Shinichi Miura

P077

An improvement in the free energy functional for the classical liquids based on the fundamental measure theory and its application to the liquid-vapor coexistence curve

Tomoaki Yagi, Hirofumi Sato

P078

Equations of motion for hybrid atomistic molecular dynamics/continuum hydrodynamics particles

Nikita Visencuk Visenko, Oleksii Pozhylenkov, Dmitry Nerukh

P079

Potential energy functions and machine learning for molecular dynamics simulations of liquids

Michael Probst, Lei Chen, Ivan Sukuba, Alexander Kaiser

P080

The Stokes-Einstein relation for n-alkanes and Ar in n-alkanes

Tomohiro Murakami, Yoshiki Ishii, Soshi Saito, Norikazu Ohtori

P081

Self-diffusion coefficient in supercooled liquid Ar

Kenta Shintani, Shohei Miyamoto, Yoshiki Ishii, Soshi Saito, Norikazu Ohtori

P082

Limiting diffusion coefficients of pesticides

Luis M. P. Verissimo, Filipe G. A. Estrada, Jorge M. C. Marques, Ana C. F. Ribeiro, Artur J. M. Valente

P083

New calculation method of colloidal density distribution from CP- AFM force curve

K. Hashimoto, K. Amano, T. Ishihara, N. Nishi, T. Sakka

P084

Molecular dynamics study on hydrogen dynamics through polymer electrolyte membranes

K. Takeuchi, A. T. Kuo, A. Tanaka, S. Urata, W. Shinoda, S. Okazaki

P085

Molecular dynamics simulation for motion of a macroparticle driven by solvation change

Ken Tokunaga, Ryo Akiyama

P086

Relative kinetic reactivity of boronic acid and boronate ion can be reversed?

Daisuke Kusuyama, Yota Suzuki, Tomoaki Sugaya, Koji Ishihara

P087

Solution chemistry of the reaction of chlorogenic acid with Al (III) ion

Taichi Kitazawa, Tomoaki Sugaya, Chihiro Takeda, Satoshi Tachiyashiki, Koji Ishihara

P088

Numerical analysis of solute-solvent coupling magnitude in the thermally backward ring closing reaction of spirooxazines

Yasuhiro Shigemitsu, Yasushi Ohga

P089

Analysis of transient hole burning spectra in organic solvents studied by molecular dynamics simulation

Tsuyoshi Yamaguchi, Norio Yoshida, Katsura Nishiyama

P090

Ultrafast dynamics of diarylethene derivative by sub-10 fs laser pulses

Arkadiusz Jarota, Ewa Pastorczak, Walid Tawfik, Bing Xue, Rafał Kania, Halina Abramczyk, Takayoshi Kobayashi

P091

How does antagonistic salt exhibit surfactant-like characteristics in water?

K. Doai, T. Higashiyama, K. Nakajima, R. Kato, K. Sadakane

P092

Crystal structures induced by antagonistic salts in the organic solvent solutions

Ryo Kato, Toshiyuki Takamuku, Koichiro Sadakane

P093

Ordered structure induced by antagonistic salts in organic solvent

K. Nakajima, T. Higashiyama, K. Doai, R. Kato, K. Sadakane

P094

Shear effect on the critical behavior of water / organic solvent / antagonistic salt

Koichiro Sadakane

P095

Optical and thermal properties of self-assembly organogels comprising p-chlorophenol and a surfactant AOT

Shuya Kato, Kyohei Tsukada, Norimitsu Mori, Narihiro Nagata, Tsuyoshi Yamaguchi, Katsura Nishiyama

P096

Pressure-responsive, surfactant-free CO₂-based nanostructured fluids

Alessandro Triolo, Natascia Grimaldi, Paula Elena Rojas, Simon Stehle, Alba Cordoba, Ralf Schweins, Santi Sala, Stefan Luelsdorf, David Piña, Jaume Veciana, Jordi Faraudo, Olga Russina, Andreas Siegfried Braeuer, Nora Ventosa

P097

Theoretical study on dynamics and structure of self-assembly process

Hirofumi Sato, Yoshihiro Matsumura, Yuichiro Yoshida, Shuichi Hiraoka, Satoru Iuchi

P098

Globule-like conformation and enhanced diffusion of active polymers

Valentino Bianco, Emanuele Locatelli, Paolo Malgaretti

P099

Phase transition of aqueous poly(N-isopropylacrylamide) solution: experimental evidence for micro-globule formation

Keiichi Yanase, Richard Buchner, Takaaki Sato

P100

Molecular absorption in the porous polymer crystals of syndiotactic polystyrene and poly(4-methyl-1-pentene)

Ayano Chiba, Akio Oshima, Ryo Akiyama

P101

Phase transition of photonic crystals in solution

Honoh Suzuki, Akari Tajima, Risako Tanaka, Yumi Tamura

P102

Highly-coarse-grained multi-body models for polymers

Yuichi Masubuchi

P103

Development of efficient calculation method of long-polymer chain’s chemical potential and its application

K. Yamada, N. Matubayasi

P104

Free-energy analysis of water absorption in polymer systems with branched structures

Kazuya Handa, Kazuo Yamada, Nobuyuki Matubayasi

P105

Membrane-membrane interactions and ion fluctuation in cationic multi-lamellar vesicle dispersions

Takaaki Sato, Keiichi Yanase, Miku Obikane, Richard Buchner, Akinori Igarashi, Taku Ogura

P106

Hydration effect on the dynamics of phospholipid studied by broadband dielectric spectroscopy

Yu Kadomura, Naoki Yamamoto, Keisuke Tominaga

P107

Profiles of intermolecular voids inside a lipid bilayer calculated from its surface

E. A. Shelepova, V. P. Voloshin, A.V. Kim, N. N. Medvedev

P108

Fluorescence quenching of pyrene sulfonate by bromide ions on alkyltrimethylammonium bromide micellar surfaces

Makoto Takezaki, Tatsuki Katayama

P109

Free energy profiles of lipid translocation across binary POPC bilayer mixtures: A molecular dynamics study

Hiroaki Saito, Tetsuya Morishita, Taku Mizukami, Kazutomo Kawaguchi, Hidemi Nagao

P110

A novel polar coarse-grained water model for molecular dynamics simulations of lipid membrane systems

Yusuke Miyazaki, Susumu Okazaki, Wataru Shinoda

P111

Free energy calculation on the permeation of the ionic drug across the lipid membrane

Miyu Tamura, Susumu Okazaki, Wataru Shinoda

P112

Solvent effect on lateral interaction between two cholesterol molecules in lipid bilayers

A. Matsuoka, Y. Andoh, S. Okazaki

P113

Effect of PEGylated lipids on physical properties of lipid membranes coarse-grained molecular dynamics study

Takanori Ono, Susumu Okazaki, Wataru Shinoda

P114

Free energy evaluation of drug absorption on Hepatitis B virus capsid using all-atom molecular dynamics simulation

Ryo Urano, Noriyuki Yoshii, Wataru Shinoda, Susumu Okazaki

P115

Elucidation of physical properties of hepatitis B virus containing pregenome RNA by molecular dynamics simulation

Youhei Yamaguchi, Hajime Imai, Kazushi Fujimoto, Ryo Urano, Wataru Shinoda, Katsumi Omagari, Yasuhito Tanaka, Tetsuya Ishikawa, Atsushi Nakagawa, Susumu Okazaki

P116

Investigation of viral capsid stability with all-atom molecular dynamics simulation in explicit solvent

E. Tarasova, V. Farafonov, M. Taiji, D. Nerukh

P117

Protein-ligand binding in crowded environments: Molecular dynamics simulation study

K. Kasahara, H. Oshima, S. Re, Y. Sugita

P118

Reduced density profile of small solvent particles near a large solute particle

Y. Nakamura, S. Arai, M. Kinoshita, A. Yoshimori, R. Akiyama

P119

Cryogenic temperature effect on amyloid aggregates using optical spectroscopy

Natsuki Yamada, Yudai Takegawa, Takahiro Takekiyo, Yukihiro Yoshimura

P120

The effect of aqueous alkylammonium nitrate solutions on aggregation of β-lactoglobulin

Tomohiro Zenin, Koji Yoshida, Toshio Yamaguchi

P121

Free energy analysis of amyloid aggregation by molecular dynamics simulation

Keiichi Masutani, Yu Yamamori, Kang Kim, Nobuyuki Matubayasi

P122

2D- and 3D-structures of hen egg white lysozyme in aqueous mixtures of alcohols

Tomoya Haraguchi, Yusuke Hozoji, Hiroyuki Sakurai, Koichiro Sadakane, Hiroki Iwase, Toshiyuki Takamuku

P123

Structure and dynamics of hydrated protein and peptides investigated by X-ray scattering

K. Yoshida, T. Yamaguchi

P124

Free energy landscape for temperature-pressure denaturation of Ubiquitin

Minoru Kato, Tsubasa Yamamoto

P125

Chiral recognition of ibuprofen enantiomers by β-cyclodextrin: Structure and thermodynamics by molecular simulation

Jan Jirsák, Jiří Škvára, Ivo Nezbeda

P126

Temperature-dependent structural ensemble of hydrated crystal of DHFR studied by replica-exchange molecular dynamics

Tetsuro Nagai, Florence Tama, Osamu Miyashita

P127

Development of the replica exchange generalized hybrid Monte Carlo algorithm with applications to the alanine dipeptide

T. Hori, S. Miura

P128

Development of a generalized hybrid Monte Carlo algorithm to generate the multicanonical ensemble with applications to coarse-grained models of protein molecules

N. Mukuta, S. Miura

P129

Coarse-grained modeling of sphingomyelin and domain formation simulation

Sangjae Seo, Wataru Shinoda

P130

Molecular dynamics study of stability of amphotericin B channel

Kosuke Funahashi, Sangjae Seo, Susumu Okazaki, Yuichi Umegawa, Michio Murata, Wataru Shinoda

P131

Molecular dynamics study of collective dynamics of surfactant molecular assemblies

Noriyuki Yoshii, Susumu Okazaki

P132

Multi-scale modeling of DNA-based dendrimers in electrolyte solutions

Nataša Adžić, Clemens Jochum, Emmanuel Stiakakis, Gerhard Kahl, Christos N. Likos

P133

DNA hydrolysis by EcoRV subsequent to scissile-phosphate twist, studied by QM/MM metadynamics simulation

Itaru Onishi, Norio Yoshida, Fumio Hirata, Masayuki Irisa