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Posters (48) - Alphabetical order
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Poster
Number
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Author & Title
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Abstract
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| 17 |
Abdullah Ahmad (University of Strathclyde, UK) |
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pyRISM – Python Implementation of the Reference Interaction Site Model |
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| 4 |
Aymeric Allemand (Institute of Light and Matter (ILM), France) |
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Ionic transport in soft subnanometric films |
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| 37 |
László Almásy (Centre for Energy Research, Hungary) |
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Structure of Aqueous Solutions of Heterocyclic Amines |
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| 42 |
Edgar Alvarez Galera (Universitat Politènica de Catalunya, Spain) |
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Nucleation of helium in molten lithium |
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| 38 |
Roi Bar-On (Technion, Israel) |
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Theory for Heterogeneous Water/Oil Separation |
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| 5 |
Roger Bellido Peralta (Universitat de Barcelona, Spain) |
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Water-methanol mixture segregation and separation under confinement |
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| 19 |
Samuel Blazquez (Complutense University of Madrid, Spain) |
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The Madrid-2019 force field for electrolytes in water: An extension to the ions F-, Br-, I-, Rb+ and Cs+ |
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| 1 |
Dezso Boda (University of Pannonia, Hungary) |
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Rules of thumb for creating useful reduced models: the case study of nanopores |
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| 6 |
Carles Calero (Universitat de Barcelona, Spain) |
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Dynamics of water under confinement by soft and hard boundaries: a comparative analysis using all-atom MD simulations. |
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| 20 |
Manel Canales (Universitat Politècnica de Catalunya, Spain) |
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Hydrogen bonding in aqueous solutions of sulfuric and methanesulfonic acids: a computer simulation study |
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| 7 |
Frédéric Caupin (University Lyon 1, France) |
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Fluid phase equilibrium in confinement: effects of compressibility and wetting |
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| 21 |
Luis Enrique Coronas (University of Barcelona, Spain) |
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A quantitative water model for large-scale simulations at life-relevant conditions |
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| 12 |
Joanna Feder-Kubis (Wroclaw University of Science and Technology, Poland) |
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Task-specific ionic liquids as smart additives for nanoparticles |
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| 13 |
Nadia Figueiredo (University of Porto, Portugal) |
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Anion-based magnetic ionic liquids: from non-polarizable to polarizable force fields |
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| 43 |
Jordi Fraxedas (ICN2, Spain) |
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Radial and unidirectional water pumping using zeta-potential modulated Nafion nanostructures |
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| 22 |
Francisco Gámez (Universidad Complutense de Madrid, Spain) |
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Experimental and simulation results (using the extended Madrid-2019 force field) for the maximum in density of 1m salt solutions containing the cations Rb+ and Cs+: and the anions F-, Br- and I-. |
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| 23 |
Joanna Grabowska (Universidad Complutense de Madrid, Spain) |
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Solubility of methane in water and its connection to the hydrate nucleation |
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| 47 |
Elvira Guardia (Universitat Politècnica de Catalunya, Spain) |
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Fingerprints of the crossing of the Frenkel and Melting Lines in high-pressure supercritical water |
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| 8 |
Myroslav Holovko (Institute for Condensed Matter Physics, Ukraine) |
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One hundred years for Enskog theory: application to fluids in porous media |
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| 44 |
Shinya Hosokawa (Kumamoto University, Inst. Industrial Nanomaterials, Japan) |
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Improved Data Analysis on Atomic Dynamics in Liquid CCl4 |
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| 2 |
Zheyao Hu (Polytechnic University of Catalonia-Barcelona Tech, Spain) |
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The Crucial role of Mg2+ in conformational change of KRas |
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| 14 |
Lasse Hunger (University Rostock, Germany) |
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The fragmentation of intermolecular interactions in a carboxyl-functionalized ionic liquid and its molecular mimic – Quantification of hydrogen bond strength |
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| 34 |
Akos Juhasz (University of Lille, France) |
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Characterizing electrospun 3D matrices for biomedical purposes |
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| 39 |
Ivo Jukic (University of Split, Croatia (Hrvatska)) |
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Universality of two gigahertz-ranged cluster lifetimes in hydrogen bonding liquids and mixtures |
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| 24 |
Arnau Jurado Romero (Universitat Politècnica de Catalunya, Spain) |
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Vibrational cooling dynamics of nitromethane |
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| 35 |
David Kotwica (University of Rostock, Germany) |
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Spectroelectrochemical and IR-photocatalytic investigations of manganese based CO2-reduction-catalysts |
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| 25 |
Yuting Li (Khalifa University, United Arab Emirates) |
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Computational screening of Transition metals doped on CdS photocatalyst for green hydrogen generation |
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| 45 |
Narayan Chandra Maity (S N Bose National Centre for Basic Sciences, India) |
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Spatio-temporal heterogeneity in octanol rich region: Revealing via time resolved fluorescence measurements |
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| 36 |
Gionni Marchetti (Universitat de Barcelona, Spain) |
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Can Machine Learning help us to systematically analyze the UV Resonance Raman Spectra of Glycoproteins absorbing on Nanoparticles? |
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| 40 |
Jordi Marti (UPC, Spain) |
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Oncogenic K-Ras Proteins: Mechanisms of Activation by Guanine Exchange Factors |
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| 15 |
Fatima Matroodi (Elettra Sincrotrone, Italy) |
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Hydrogen bonding and local structure of imidazolium-based ionic liquids in water |
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| 41 |
Jayanta Mondal (S N Bose National Centre for Basic Sciences, India) |
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Temperature dependent dielectric relaxation measurement of an amino acid derivative based deep eutectic solvent: origin of timescales via experiment and molecular dynamics simulation |
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| 9 |
Ana Maria Montero (University of Extremadura, Spain) |
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Equation of state of hard-disk fluids under single-file confinement |
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| 26 |
Jule Kristin Philipp (University of Rostock, Germany) |
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Cluster Formation in Mixtures of [Li][NTf2] and Triglyme |
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| 27 |
Milan Predota (University of South Bohemia, Czech Republic) |
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Vibrational SFG spectrum prediction from classical molecular dynamics simulations |
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| 28 |
Farid Rizk (Institut Lumière Matière, France) |
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Microscopic origins of the viscosity of a Lennard-Jones liquid |
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| 10 |
Zsófia Judit Sarkadi (University of Pannonia, Hungary) |
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Scaling for selectivity in uniformly charged selective nanopores |
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| 3 |
Ari Paavo Seitsonen (Ecole normale supérieure - CNRS, France) |
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Quercetin in water, studied with molecular simulations |
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| 29 |
Abderrahmane Semmeq (Université de Lorraine-CNRS, France) |
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Tuning the Optical Properties of a Chromophore in a Nanoconfined Environment |
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| 30 |
Gemma Sesé (Universitat Politècnica de Catalunya, Spain) |
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The 2PT approach for a molecular dipolar liquid |
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| 31 |
Mohd Rafie bin Shaharudin (The University of Manchester, UK) |
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the role of surface ionisation in the hydration-induced swelling of graphene oxide membrane |
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| 32 |
Shokirbek Shermukhamedov (Institute of Ion Physics and Applied Physics, Univerity of Innsbruck , Austria) |
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Heterogeneous Electron Transfer Reactions inside Carbon Nanotubes: Molecular Dynamics Simulations |
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| 46 |
Jiri Skvara (Jan Evangelista Purkyne University in Usti nad Labem, Czech Republic) |
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Thermodynamics and structure of TIP4P/Ice supercooled water |
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| 16 |
Michika Takeda (Kyushu University, Japan) |
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Calculation of effective interaction between like-charged particles; The HNC-OZ theory and Monte Carlo simulation |
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| Late |
Gian Marco Tuveri (IBEC / UB, Spain) |
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study on the dynamics and structure of the glycoprotein LDL Receptor Related Protein 1 (LRP1) |
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| 18 |
Mónika Valiskó (University of Pannonia, Hungary) |
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The Mean Countershell Approximation (MCSA) theory for the excess chemical potential of electrolytes: comparison to Monte Carlo simulations |
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| 33 |
Maria von Einem (University of Bremen, Germany) |
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Is TiO 2 cleaning our wastewater in the future? |
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| 11 |
Zixuan Wei (The University of Manchester, UK) |
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Wettability of graphite under 2D confinement |
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