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Posters (57) - Alphabetical order
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Abdullah Ahmad (University of Strathclyde, UK) |
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pyRISM – Python Implementation of the Reference Interaction Site Model |
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Aymeric Allemand (Institute of Light and Matter (ILM), France) |
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Ionic transport in soft subnanometric films |
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László Almásy (Centre for Energy Research, Hungary) |
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Structure of Aqueous Solutions of Heterocyclic Amines |
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Edgar Alvarez Galera (Universitat Politènica de Catalunya, Spain) |
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Nucleation of helium in molten lithium |
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Roi Bar-On (Technion, Israel) |
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Theory for Heterogeneous Water/Oil Separation |
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Roger Bellido Peralta (Universitat de Barcelona, Spain) |
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Water-methanol mixture segregation and separation under confinement |
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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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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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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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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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Frédéric Caupin (University Lyon 1, France) |
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Fluid phase equilibrium in confinement: effects of compressibility and wetting |
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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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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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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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Jordi Fraxedas (ICN2, Spain) |
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Radial and unidirectional water pumping using zeta-potential modulated Nafion nanostructures |
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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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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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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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Lolita Hilaire (CEA, France) |
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Developing a multi-scale model for liquid-liquid coalescence |
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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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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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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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Akos Juhasz (University of Lille, France) |
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Characterizing electrospun 3D matrices for biomedical purposes |
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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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Arnau Jurado Romero (Universitat Politècnica de Catalunya, Spain) |
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Vibrational cooling dynamics of nitromethane |
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Yurij Kalyuzhnyi (Inst. for Cond. Mat. Phys., Ukraine) |
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Empty liquid state and re-entrant phase behavior of the patchy colloids confined in porous media |
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Ruslan Kashapov (Arbuzov Institute of Organic and Physical Chemistry, FRC Kazan Scientific Center of Russian Academy of Sciences, Russia) |
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Amphiphilic Calix[4]resorcinol-based Nanoparticles: Synthesis, Self-assembly and Biological Properties |
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Ashok Keerthi (The University of Manchester , UK) |
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Translocation of DNA through ultrathin nanoslits |
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Maria Korvatska (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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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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Aleksandr Leontev (Wolfson Department of Chemical Engineering, Technion – Israel Institute of Technology, Israel) |
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Macroscopic and microscopic investigation of deposition processes and particle and bacteria attachment to surfaces with different propensity to fouling. |
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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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Thomas J. Longo (University of Maryland at College Park, USA) |
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Two Major Effects of Molecular Interconversion on Phase Transitions: Liquid Polyamorphism & Dissipative Structures |
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Laura Lupi (Roma Tre University, Italy) |
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Ice recrystallization inhibition by disaccharides |
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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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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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Jordi Marti (UPC, Spain) |
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Oncogenic K-Ras Proteins: Mechanisms of Activation by Guanine Exchange Factors |
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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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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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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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Vadim Neklyudov (Technion - IIT, Israel) |
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Ion transport through sub-1-nm SWCNTs supported by ion pairs |
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Dmitry Nerukh (Aston University, UK) |
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Does MD modelling keep up with cryo-EM? Entire virus with genome in physiological solution |
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Jule Kristin Philipp (University of Rostock, Germany) |
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Cluster Formation in Mixtures of [Li][NTf2] and Triglyme |
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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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Farid Rizk (Institut Lumière Matière, France) |
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Microscopic origins of the viscosity of a Lennard-Jones liquid |
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Zsófia Judit Sarkadi (University of Pannonia, Hungary) |
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Scaling for selectivity in uniformly charged selective nanopores |
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Ari Paavo Seitsonen (Ecole normale supérieure - CNRS, France) |
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Quercetin in water, studied with molecular simulations |
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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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Gemma Sesé (Universitat Politècnica de Catalunya, Spain) |
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The 2PT approach for a molecular dipolar liquid |
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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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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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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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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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Letizia Tavagnacco (CNR-ISC Sapienza University, Italy) |
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Investigation of water confined in PNIPAM environment |
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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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Maria von Einem (University of Bremen, Germany) |
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Is TiO 2 cleaning our wastewater in the future? |
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Zixuan Wei (The University of Manchester, UK) |
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Wettability of graphite under 2D confinement |
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