Information for poster presenters:

- Poster size: A0 format (width: 841 mm x Height: 1189 mm) (Portrait).

- Posters Schedule:
Posters should be displayed on Tuesday September 13, 2022 (before the morning coffee break) and should be removed Friday September 16, 2022 (after the morning coffee break)

Posters should be presented during the designated sessions and usually during the coffee breaks.

- Posters Presentation: We recommend the poster presenters to stand in front of their poster in order to enhance fruitful discussions – designated time that the evaluators will pass by to discuss the work. Posters should be presented during the designated sessions.

- Other info: To each poster will be assigned a number. You will find double side tape directly on the panel to hang your poster.

- Check the number assigned to your poster at the entrance of the exhibition and posters hall.


Posters (57) - Alphabetical order

Author & Title Abstract
Abdullah Ahmad (University of Strathclyde, UK)
pyRISM – Python Implementation of the Reference Interaction Site Model
Aymeric Allemand (Institute of Light and Matter (ILM), France)
Ionic transport in soft subnanometric films
László Almásy (Centre for Energy Research, Hungary)
Structure of Aqueous Solutions of Heterocyclic Amines
Edgar Alvarez Galera (Universitat Politènica de Catalunya, Spain)
Nucleation of helium in molten lithium
Roi Bar-On (Technion, Israel)
Theory for Heterogeneous Water/Oil Separation
Roger Bellido Peralta (Universitat de Barcelona, Spain)
Water-methanol mixture segregation and separation under confinement
Samuel Blazquez (Complutense University of Madrid, Spain)
The Madrid-2019 force field for electrolytes in water: An extension to the ions F-, Br-, I-, Rb+ and Cs+
Dezso Boda (University of Pannonia, Hungary)
Rules of thumb for creating useful reduced models: the case study of nanopores
Carles Calero (Universitat de Barcelona, Spain)
Dynamics of water under confinement by soft and hard boundaries: a comparative analysis using all-atom MD simulations.
Manel Canales (Universitat Politècnica de Catalunya, Spain)
Hydrogen bonding in aqueous solutions of sulfuric and methanesulfonic acids: a computer simulation study
Frédéric Caupin (University Lyon 1, France)
Fluid phase equilibrium in confinement: effects of compressibility and wetting
Luis Enrique Coronas (University of Barcelona, Spain)
A quantitative water model for large-scale simulations at life-relevant conditions
Joanna Feder-Kubis (Wroclaw University of Science and Technology, Poland)
Task-specific ionic liquids as smart additives for nanoparticles
Nadia Figueiredo (University of Porto, Portugal)
Anion-based magnetic ionic liquids: from non-polarizable to polarizable force fields
Jordi Fraxedas (ICN2, Spain)
Radial and unidirectional water pumping using zeta-potential modulated Nafion nanostructures
Francisco Gámez (Universidad Complutense de Madrid, Spain)
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−.
Joanna Grabowska (Universidad Complutense de Madrid, Spain)
Solubility of methane in water and its connection to the hydrate nucleation
Elvira Guardia (Universitat Politècnica de Catalunya, Spain)
Fingerprints of the crossing of the Frenkel and Melting Lines in high-pressure supercritical water
Lolita Hilaire (CEA, France)
Developing a multi-scale model for liquid-liquid coalescence
Shinya Hosokawa (Kumamoto University, Inst. Industrial Nanomaterials, Japan)
Improved Data Analysis on Atomic Dynamics in Liquid CCl4
Zheyao Hu (Polytechnic University of Catalonia-Barcelona Tech, Spain)
The Crucial role of Mg2+ in conformational change of KRas
Lasse Hunger (University Rostock, Germany)
The fragmentation of intermolecular interactions in a carboxyl-functionalized ionic liquid and its molecular mimic – Quantification of hydrogen bond strength
Akos Juhasz (University of Lille, France)
Characterizing electrospun 3D matrices for biomedical purposes
Ivo Jukic (University of Split, Croatia (Hrvatska))
Universality of two gigahertz-ranged cluster lifetimes in hydrogen bonding liquids and mixtures
Arnau Jurado Romero (Universitat Politècnica de Catalunya, Spain)
Vibrational cooling dynamics of nitromethane
Yurij Kalyuzhnyi (Inst. for Cond. Mat. Phys., Ukraine)
Empty liquid state and re-entrant phase behavior of the patchy colloids confined in porous media
Ruslan Kashapov (Arbuzov Institute of Organic and Physical Chemistry, FRC Kazan Scientific Center of Russian Academy of Sciences, Russia)
Amphiphilic Calix[4]resorcinol-based Nanoparticles: Synthesis, Self-assembly and Biological Properties
Ashok Keerthi (The University of Manchester , UK)
Translocation of DNA through ultrathin nanoslits
Maria Korvatska (Institute for Condensed Matter Physics, Ukraine)
One hundred years for Enskog theory: application to fluids in porous media
David Kotwica (University of Rostock, Germany)
Spectroelectrochemical and IR-photocatalytic investigations of manganese based CO2-reduction-catalysts
Aleksandr Leontev (Wolfson Department of Chemical Engineering, Technion – Israel Institute of Technology, Israel)
Macroscopic and microscopic investigation of deposition processes and particle and bacteria attachment to surfaces with different propensity to fouling.
Yuting Li (Khalifa University, United Arab Emirates)
Computational screening of Transition metals doped on CdS photocatalyst for green hydrogen generation
Thomas J. Longo (University of Maryland at College Park, USA)
Two Major Effects of Molecular Interconversion on Phase Transitions: Liquid Polyamorphism & Dissipative Structures
Laura Lupi (Roma Tre University, Italy)
Ice recrystallization inhibition by disaccharides
Narayan Chandra Maity (S N Bose National Centre for Basic Sciences, India)
Spatio-temporal heterogeneity in octanol rich region: Revealing via time resolved fluorescence measurements
Gionni Marchetti (Universitat de Barcelona, Spain)
Can Machine Learning help us to systematically analyze the UV Resonance Raman Spectra of Glycoproteins absorbing on Nanoparticles?
Jordi Marti (UPC, Spain)
Oncogenic K-Ras Proteins: Mechanisms of Activation by Guanine Exchange Factors
Fatima Matroodi (Elettra Sincrotrone, Italy)
Hydrogen bonding and local structure of imidazolium-based ionic liquids in water
Jayanta Mondal (S N Bose National Centre for Basic Sciences, India)
Temperature dependent dielectric relaxation measurement of an amino acid derivative based deep eutectic solvent: origin of timescales via experiment and molecular dynamics simulation
Ana Maria Montero (University of Extremadura, Spain)
Equation of state of hard-disk fluids under single-file confinement
Vadim Neklyudov (Technion - IIT, Israel)
Ion transport through sub-1-nm SWCNTs supported by ion pairs
Dmitry Nerukh (Aston University, UK)
Does MD modelling keep up with cryo-EM? Entire virus with genome in physiological solution
Jule Kristin Philipp (University of Rostock, Germany)
Cluster Formation in Mixtures of [Li][NTf2] and Triglyme
Milan Predota (University of South Bohemia, Czech Republic)
Vibrational SFG spectrum prediction from classical molecular dynamics simulations
Farid Rizk (Institut Lumière Matière, France)
Microscopic origins of the viscosity of a Lennard-Jones liquid
Zsófia Judit Sarkadi (University of Pannonia, Hungary)
Scaling for selectivity in uniformly charged selective nanopores
Ari Paavo Seitsonen (Ecole normale supérieure - CNRS, France)
Quercetin in water, studied with molecular simulations
Abderrahmane Semmeq (Université de Lorraine-CNRS, France)
Tuning the Optical Properties of a Chromophore in a Nanoconfined Environment
Gemma Sesé (Universitat Politècnica de Catalunya, Spain)
The 2PT approach for a molecular dipolar liquid
Mohd Rafie bin Shaharudin (The University of Manchester, UK)
the role of surface ionisation in the hydration-induced swelling of graphene oxide membrane
Shokirbek Shermukhamedov (Institute of Ion Physics and Applied Physics, Univerity of Innsbruck , Austria)
Heterogeneous Electron Transfer Reactions inside Carbon Nanotubes: Molecular Dynamics Simulations
Jiri Skvara (Jan Evangelista Purkyne University in Usti nad Labem, Czech Republic)
Thermodynamics and structure of TIP4P/Ice supercooled water
Michika Takeda (Kyushu University, Japan)
Calculation of effective interaction between like-charged particles; The HNC-OZ theory and Monte Carlo simulation
Letizia Tavagnacco (CNR-ISC Sapienza University, Italy)
Investigation of water confined in PNIPAM environment
Mónika Valiskó (University of Pannonia, Hungary)
The Mean Countershell Approximation (MCSA) theory for the excess chemical potential of electrolytes: comparison to Monte Carlo simulations
Maria von Einem (University of Bremen, Germany)
Is TiO 2 cleaning our wastewater in the future?
Zixuan Wei (The University of Manchester, UK)
Wettability of graphite under 2D confinement
57 / 48
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