Program

Note for presenters

Talk:
We basically expect you to use your own laptop for your talk. Both VGA (15-pin) and HDMI connector are useful. The aspect ratio of screen is 4:3 (standard). Laser pointers are available. If you need us to prepare a laptop for your presentation, please contact us beforehand.

Poster:
The board size for poster presentations is 90cm x 170cm.
A poster size of A0 (84cm x 119cm) is recommended.

Program Overview

Sunday, November 4

chair: Toshiyuki Takamuku

Opening Lecture: 17:00–17:50; Dynamics of protein-water interaction and conformation changes during reactions; Masahide Terazima
Reception: 18:00–

Monday, November 5

chair: Yoshifumi Kimura

IL01: 09:00–09:40; Like likes like in ionic liquids: When cooperative hydrogen bonding overcomes Coulomb repulsion between ions of like charge; A. Strate, T. Niemann, P. Stange, J. Neumann, D. Paschek, R. Ludwig
T01: 09:40–10:00; Hydrogen bonding interactions in ionic liquids and in their mixtures with molecular solvents; Tot Aleksandar, Yevheniia Smortsova, François-Alexandre Miannay, Volodymyr Koverga, Gadzuric Slobodan, Oleg Kalugin, Abdenacer Idrissi
T02: 10:00–10:20; Homogeneous mixing of imidazolium-based ionic liquids with DMSO caused by the strong hydrogen bonds between them; Toshiyuki Takamuku, Takumi Tokuda, Takahiro Uchida, Kazuya Sonoda, Bogdan A. Marekha, Abdenacer Idrissi, Osamu Takahashi, Yuka Horikawa, Junya Matsumura, Takashi Tokushima, Hiroyuki Sakurai, Masahiro Kawano, Koichiro Sadakane, Hiroki Iwase
T03: 10:20–10:40; Nanoscale organization in bis(perfluoroalkylsulfonyl)imide-based ionic liquids; Olga Russina, Fabrizio Lo Celso, Giovanni Battista Appetecchi, Alessandro Triolo

Break

chair: Pál Jedlovszky

IL02: 11:00–11:40; The origin of the anomalous properties of water; Anders Nilsson
T04: 11:40–12:00; Molecular interactions in aqueous solutions studied by soft X-ray absorption spectroscopy; Masanari Nagasaka, Hayato Yuzawa, Nobuhiro Kosugi
T05: 12:00–12:20; A generalized Langevin analysis for inelastic x-ray scattering data on molecular liquids; Shinya Hosokawa, Koji Yoshida
T06: 12:20–12:40; D3 at the ILL: structural studies of hydrogenous liquid and amorphous systems using polarized neutrons; Anne Stunault, Gabriel J. Cuello, Sébastien Vial

Lunch

chair: Richard Buchner

IL03: 14:00–14:40; Structure and dynamics of water at the interface; Tahei Tahara
T07: 14:40–15:00; Kinetic pathways of hydrogen bonds break in supercooled water; Kang Kim, Takuma Kikutsuji, Nobuyuki Matubayasi
T08: 15:00–15:20; Characterization of tannin-furanic foams by Raman spectroscopy, infrared spectroscopy, and by X-ray computed microtomography; Maurizio Musso, Andreas Reyer, Gilles Bourret, Gianluca Tondi, Thomas Sepperer, Barbara Rossi, Francesco D’Amico, Lisa Vaccari, Nicola Cefarin, Nicola Sodini, Giovanni Birarda, Giuliana Tromba, Sandro Donato, Diego Dreossi

Break

chair: Katsura Nishiyama

IL04: 15:40–16:20; Dynamics of water, aqueous solutions, and proteins studied by nonlinear IR spectroscopy and broadband dielectric spectroscopy; Keisuke Tominaga
T09: 16:20–16:40; Interactions and dynamics in xylitol-water mixtures; I. Plowas-Korus, R. Buchner
T10: 16:40–17:00; Intermolecular vibrations of 1-methyl-3-octylimidazolium tetrafluoroborate and poly(ethylene glycol) mixtures; Masatoshi Ando, Hideaki Shirota

Poster Session 1: 17:10–18:50

JASC General Assembly (only for JASC members, in Japanese): 18:50–19:30

Tuesday, November 6

chair: Abdenacer Idrissi

IL05: 09:00–09:40; Chemical reactivity at aqueous interfaces; Stéphanie Essafi, Damien Laage
T11: 09:40–10:00; Surface structure of ice I_h revealed by sum frequency generation spectroscopy and theoretical modeling; Shoichi Yamaguchi, Yuki Nojima, Hajime Torii
T12: 10:00–10:20; Self-diffusion of water and cyclohexane in supercritical mixture studied by NMR and MD; Ken Yoshida, Masaru Nakahara
T13: 10:20–10:40; Thermal behavior, structure, and dynamic properties of 1,4-dioxane-water binary solutions confined in mesoporous silica MCM-41; Toshio Yamaguchi, Toshio Urabe, Koji Yoshida, Shigeharu Kittaka, Fanni Juranyi, Marie-Clare Bellissent-Funel
Poster Session 2: 10:50–12:30

Lunch

chair: Yasuhiro Umebayashi

IL06: 14:00–14:40; Contact vs. solvent-separated ion pairs in protic ionic liquid – molecular liquid mixtures; Alessandro Triolo, Fabrizio Lo Celso, Natalia Plechkova, Francesca Leonelli, Olga Russina
T14: 14:40–15:00; Copper chloro complexation thermodynamics in ionic liquid, 1-butyl-3-methylimidazolium trifluoromethanesulfonate; Shuma Uchida, Hitoshi Kodamatani, Takashi Tomiyasu, Ryo Kanzaki
T15: 15:00–15:20; Ionic liquids: Analyzing transport properties with non-equilibrium thermodynamics and statistical mechanics; Kenneth R. Harris
T16: 15:20–15:40; Energy harvesting and storage using task-specific ionic liquids; José Nuno Canongia Lopes, Karina Shimizu, Carlos E. S. Bernardes, Adilson A. Freitas

Break

chair: Hajime Torii

Young Scientist Session

S01: 16:00–16:15; Hydration, dynamics and ion-binding of L-glutamate in water: A dielectric spectroscopy study; S. Friesen, R. Buchner
S02: 16:15–16:30; Temperature dependence of low-frequency spectra in pyrrolidinium-based ionic liquids; Shohei Kakinuma, Hideaki Shirota
S03: 16:30–16:45; Hydrogen bonds between like-charged ions in ionic liquids: A molecular dynamics simulation study; J. Neumann, D. Paschek, R. Ludwig
S04: 16:45–17:00; High energy X-ray scattering studies on nano-segregated liquid structure of pseudo protic ionic liquids; Hikari Watanabe, Nana Arai, Erika Nozaki, Yasuo Kameda, Yasuhiro Umebayashi
S05: 17:00–17:15; Thermodynamic and interfacial properties of CO₂-acetone mixtures; Balázs Fábián, George Horvai, Abdenacer Idrissi, Pál Jedlovszky
S06: 17:15–17:30; Excited state proton transfer of 5,8-dicyano-2-naphthol in supercritical alcohol assessed by diffusion-controlled reaction model; Kaori Fujii, Megumi Aramaki, Yoshifumi Kimura
S07: 17:30–17:45; Multi-reference perturbation theory with the reference interaction site model (RISM) for calculating bio-imaging probes; Ryosuke Y. Shimizu, Takeshi Yanai, Yuki Kurashige, Daisuke Yokogawa
S08: 17:45–18:00; Impact of pluronic block copolymers on the mechanical properties and the phase behaviour of lipid membranes: a computational study; Afroditi Maria Zaki, Paola Carbone

Wednesday, November 7

chair: Maurizio Musso

IL07: 09:00–09:40; Assembly and disassembly of virus capsids: Biology recapitulates physics; Adam Zlotnick
T17: 09:40–10:00; Molecular dynamics study on lipid bilayers modeling cell plasma membranes with asymmetric lipid composition; Y. Andoh, S. Hayakawa, S. Okazaki
T18: 10:00–10:20; Multiscale multiphysics of liquid solutions of complex molecular systems; Dmitry Nerukh, Elvira Tarasova, Vladimir Farafonov, Nikita Visencuk Visenko, Aleksey Pozhilenkov, Sergey Karabasov, Ivan Korotkin, Marina Bakumenko, Elizaveta Berezovska
T19: 10:20–10:40; Developing a temperature-dependent coarse grained model for aqueous non-ionic surfactant solution simulations; Mark Griffiths, Wataru Shinoda
T20: 10:40–11:00; On the aggregation of cyclodextrins in solution; Artur J. M. Valente, Tânia F. Cova, Alberto A. A. C. Pais, Olle Söderman

Break

chair: Philippe A. Bopp

IL08: 11:20–12:00; WATER: From supercooled liquid to supersaturated steam; Ivo Nezbeda
T21: 12:00–12:20; Quantized thermodynamic properties from the analysis of smoothed trajectories: Pilot study for water; Dénes Berta, Dávid Ferenc, Imre Bakó, Ádám Madarász
T22: 12:20–12:40; Recent progress and development toward incorporation of quantum chemical effects by size-consistent multipartitioning quantum mechanical / molecular mechanical method; Hiroshi Watanabe

Lunch

chair: Artur J. M. Valente

IL09: 14:00–14:40; Role of intermolecular interaction in controlling structure and physicochemical properties of liquid; Seiji Tsuzuki
T23: 14:40–15:00; Mixing two neat liquids in computer simulation: free energy calculation and local structure analysis; Pál Jedlovszky, Balázs Fábián, Bálint Kiss, Milán Szőri, Abdenacer Idrissi
T24: 15:00–15:20; The phase behavior of poly(vinylidene fluoride)/N-methyl-2-pyrrolidone/water ternary system; Tseden Taddese, Kitabata Masahiro, Susumu Okazaki
T25: 15:20–15:40; New perspectives on polymer entanglements and dynamics: Insights from simulations and molecular correlations; Kyle Wm. Hall, Timothy Sirk, Simona Percec, Michael L. Klein

Social event

Banquet

Thursday, November 8

chair: Nobuyuki Matubayasi

IL10: 09:00–09:40; Association of like-charged, arginine-rich peptides in solution; Mikael Lund
T26: 09:40–10:00; Selection, folding, stability and aggregation of proteins in a water-protein coarse grain model; Valentino Bianco, Giancarlo Franzese, Christoph Dellago, Ivan Coluzza
T27: 10:00–10:20; Folding transition of a model protein molecule studied by the multicanonical generalized hybrid Monte Carlo method; Natsuki Mukuta, Shinichi Miura

Break

chair: Hirofumi Sato

IL11: 10:40–11:20; Computational methods for predicting properties of organic compounds: at the interface between molecular theories and machine learning; Maxim V. Fedorov, Maksim Misinr, Sergey Sosnin
T28: 11:20–11:40; Role of Mg²⁺ ions in DNA hydrolysis by EcoRV, studied by 3D-RISM and MD; Itaru Onishi, Shunya Sunaba, Norio Yoshida, Fumio Hirata, Masayuki Irisa
T29: 11:40–12:00; Multiscale modeling of hybrid solar cells for photovoltaic applications by means of the integral equation theory of molecular liquids; Alexander E. Kobryn
EMLG/JMLG General Assembly: 12:00–12:40