Confirmed Invited Speakers
presented in alphabetical order
Kestutis Aidas (invited lecture) Vilnius University, Lithuania; Structural and NMR properties of ionic liquid materials: insights from MD/QM modelling
Liudmil Antonov (invited lecture) Bulgarian Academy of Sciences, Bulgaria; Make Tautomerism Great Again: New Challenges and New Possibilities
Massimiliano Bartolomei (invited lecture) Instituto de Física Fundamental, Consejo Superior de Investigaciones Científicas, Madrid; Carbon Dioxide Preferential Adsorption and Conversion on Sodium Decorated γ-Graphyne
Malgorzata Biczysko (invited lecture) University of Wroclaw, Poland; QM- and AI-based Approaches to the Structure and Spectroscopy of Biological Macromolecules
Avelino Corma Canós (overview lecture) Universitat Politècnica de València–Consejo Superior de Investigaciones Científicas, Spain; Molecular Sieves for Reactions in Confined Spaces that Mimic Enzymatic Catalysts
Attila G. Csaszar (invited lecture) ELTE, Hungary; Intriguing Manifestations of Noncovalent Interactions
Alessandro Fortunelli (overview lecture) CNR, Italy; The COSY Working Group 3: “Confined Metal and Metal-Oxide Nanoparticles and Clusters Down to the Subnanometer Scale”
Berta Fernández-Rodríguez (invited lecture) University of Santiago de Compostela, Spain; Efficient Machine Learning barrier height and reaction enthalpy corrections for low- and mid-level quantum mechanical calculations
Leticia González (invited lecture) University of Vienna, Austria; Molecules in Confinement: How Environmental Shapes Reactivity and Photochemistry
Sonja Grubisic (overview lecture) University of Belgrade, Serbia; Molecular Motion in Confined Systems: Advances in Simulations, Methods, and Models – WG2 Highlights
Majdi Hochlaf (invited lecture) Gustave Eiffel University, France; Spectroscopy and collisional dynamics of medium sized molecules
Lauri Halonen (overview lecture) University of Helsinki, Finland
Dariusz Kedziera (invited lecture) Nicolaus Copernicus University in Torun, Poland; Reliable PESs for Astrochemistry with autoPES: Methodology, Pitfalls, and Case Studies
Teodora Kirova (invited lecture) University of Latvia, Latvia; Theoretical study of the sensing properties of KL 1421 luminophore interacting with carotenoids
María J. López Santodomingo, University of Valladolid, Spain; Novel single-atom and single-cluster metal catalysts supported on carbon based layered materials
Jorge M. C. Marques (invited lecture) University of Coimbra, Portugal; Bio-inspired functionalization of chitosan for water remediation: computational insights into neonicotinoid sequestration
Fernando Martín García (invited lecture) Universidad Autónoma de Madrid, Spain; New directions in Attosecond Chemistry
Markus Meuwly (invited lecture) University of Basel, Switzerland; Machine Learning Interactions for Chemical Reactions: Validation and Applications
Francesca Mocci (invited lecture) Universita Degli Studi Di Cagliari, Italy; Environmental Control of G-Quadruplex Stability: A Molecular Dynamics Perspective
Marcel Mudrich (overview lecture) University of Kassel, Germany; Tracking microhydration of salt molecules by Penning ionization electron spectroscopy in helium nanodroplets
Martin Quack (invited lecture) ETH Zurich, Switzerland; High resolution spectroscopy, parity violation and quantum tunneling dynamics in chiral molecules of astrophysical and general interest
Sergiy Perepelytsya (invited lecture) National Academy of Science, Ukraine; Metallized Ag-DNA: Computational insights into a novel biomolecular material
Cristina Puzzarini (overview lecture) University of Bologna, Italy; Modeling Reactivity under Interstellar Conditions
Félix G. Requejo (invited lecture) UNLP and CONICET, La Plata, Argentina; Understanding Catalytic Clusters under Operando Conditions by XANES
María Luisa Senent-Díez (invited lecture) Consejo Superior de Investigaciones Científicas, Spain; AB initio calculations applied to the study of organic non-rigid molecules with (at least) three interacting torsional modes.
Paul Scheier (invited lecture) University of Innsbruck, Austria; Experimental Solution of the Thomson Problem
Kaido Sillar (invited lecture) University of Tartu, Estonia; Chemically Accurate Ab Initio Prediction of Adsorption Thermodynamics and Isotherms in Metal–Organic Frameworks
Ignacio Solá (invited lecture) Universidad Complutense de Madrid, Spain; Steering Complex Photodissociation Dynamics through Initial Vibrational Coherences
Vladimir Sreckovic (invited lecture) Institute of Physics Belgrade, Serbia; Modeling Astrochemical Reaction Rates in Confined Molecular Environments
Marinella Striccoli (invited lecture), CNR, Italy; Controlled assembly of luminescent colloidal nanocrystals into highly ordered 3D superstructures
Stefan Vajda (invited lecture) Czech Academy of Science, Czech Republic; From Single Atoms to Bimetallic Clusters and Nanostructured Surfaces: Selective Dehydrogenation & Hydrogen Production
Piotr Zuchowski (overview lecture) Nicolaus Copernicus University in Torun, Poland
Confirmed Speakers for Hot Topic Contributed Talks
presented in alphabetical order
Jorge Alonso de la Fuente (contributed talk), IFF-CSIC, Spain, Photoionization of phosphorous hydrides: experimental and theoretical comparison
Avni Berisha (contributed talk), University of Prishtina, Kosovo, How Oxide Nanocages Trap the Most Inert Greenhouse Gases
Stefan Bromley (contributed talk), University of Barcelona, Spain, Identifying Observable Infrared Signatures of Nanosilicate Dust Grains in the Interstellar Medium
Andrew Cassidy (contributed talk), Aarhus University, Denmark, Self-polarizing molecular films; confined electric fields in ices
Milan Dimitrijevic (contributed talk), Astronomical Observatory, Belgrade, Serbia, Molecular data for characterization of confined molecular systems and corresponding databases
Lala Gahramanli (contributed talk), Nano Research Laboratory, Center of Excellence, Baku State University, Azerbaijan, Plasmonic–Semiconductor–Metal Oxide Synergy in a 2D/1D Graphene/Ag–Ag₂S–Ag₂O Photocatalyst for photocatalysis
Esther García Arroyo (contributed talk), IFF-CSIC, Spain, Selectivity of D₂/H₂ isotopologues by means of adsorption on a sodium-decorated graphene prototype: a quantum-mechanical low-pressure study
José R. B. Gomes (contributed talk), CICECO-Aveiro Institute of Materials, Department of Chemistry, University of Aveiro, Portugal, Breaking the Oxygen Shield for Reactivity Control in Mo₂C-Based MXenes
Justyna Krupa (contributed talk), Faculty of Chemistry, University of Wrocław, Poland, Matrix-Isolation Photochemistry: Experimental–Theoretical Insights for Astrochemical Complexity
David Lauvergnat (contributed talk), CNRS and Université Paris-Saclay, France, Quantum Dynamics with a Smolyak scheme. Applications to clathrate hydrates
Mikolaj Lewandowski (contributed talk), NanoBioMedical Centre Adam Mickiewicz University in Poznań, Poland, Iron nitrides under oxidizing conditions: What we know from model studies on 2D Fe(x)N islands on copper?
Ateeque Malani (contributed talk), IIT Bombay, India (cancelled), Thermodynamics of confined water in swelling of clays: Role of Competetive Cation Hydration
Manuel Mendoza Hurtado (contributed talk), University of Cordoba & University of Jaen, Spain, Dual-locality learning under neighbourhood coupling: interpretable and transferable models for structured trace data
Konstantin Neyman (contributed talk), ICREA & Universitat de Barcelona, Spain, When Platinum Becomes Not Noble: Platinum-Oxide Clusters Supported on Ceria
Nicolina Pop (contributed talk), Politechnica University of Timisoara, Romania, Electron scattering on H₂⁺, BeH⁺ and their isotopologues: Dissociative recombination and ro-vibrational transitions
Magdalena Sałdyka (contributed talk), University of Wrocław, Poland, Photo-transformations of thiazole carboxylic acids in low temperature matrices
Abdulkadir Sezai Sarac (contributed talk), Istanbul Technical University, Turkey, Confined Magnetic Ferrite Nanoparticles in Polyacrylonitrile Nanofibers: Tunable Nanostructures for Tissue Engineering
Alessandra Savarese (contributed talk), University of Bologna, Italy, Energetic and Spectroscopic Insights into the C₃H₆O₂ Isomer Family for Astrochemical Purposes
Nevin Uras-Aytemiz (contributed talk), Bandırma Onyedi Eylül University, Turkey, First Principal Study of Defects in s-I and s-II Gas Hydrates
Hot Topic Posters Introduced by 2-Minute Flash Presentations
Nawras Abidi (flash presentation), ICGM-CNRS, France, Grand-canonical DFT investigation of transition-metal sulfide nanoalloys for electrochemical nitrogen reduction
Ana Paola Aizpurua Leyva (flash presentation), Universidad Autónoma de Madrid, Spain, Dynamics and Binding Behavior in Light-Responsive HDAC Inhibitors
F. Mine Balci (flash presentation), Süleyman Demirel University, Turkey, Vacancy Bjerrum Defects in s-II type Clathrate Hydrates
Petra Čechová (flash presentation), Czech Advanced Technology and Research Institute (CATRIN), Czech Republic – Geometry and phase behaviour of nonlamellar lipids in confined environments
Francisco Colmenero Ruiz (flash presentation), CIEMAT, Madrid, Spain, On the use of theoretical models as tools for the stability prediction of actinide extractants
Ilker Demiroglu (flash presentation), Eskisehir Technical University, Turkey, Gaussian Approximation Potentials for Adsorbate-Functionalized Pt–Cu Nanoparticles
Humahuti Dihingia (flash presentation), Nicolaus Copernicus University in Toruń, Poland, Towards Accurate Description of Intermolecular Induction
Andreu de Donato (flash presentation), University of Barcelona, Spain, Emergent Stability of 2D Metal Oxides at the Nanoscale
Jorge Fabila Fabian (flash presentation), Universidad de Barcelona, Spain, Machine learning modeling for infrared spectra of titanium carbide nanoparticles
Sabina Hajizada (flash presentation), Surgical Research Laboratory Department of Surgery Faculty of Medicine Mannheim University of Heidelberg, Methodological Perspectives on Modeling Photo-Induced Interactions at the Silver Nanoparticle-Bio Interface
Aynura Karimova (flash presentation), Baku State University, Azerbaijan, Confined Drug Organization in Fe3O4@Dextran Nanostructures: Effect of Nanocarrier–Drug Ratio
Alexandros Kyriazis (flash presentation), Universitat Autònoma de Barcelona (UAB), Spain, When two worlds collide: what happens when silicate and carbonaceous dust grains meet?
Jelena Maljkovic (flash presentation), Institute of Physics Belgrade, University of Belgrade, Serbia, Elastic electron scattering on the inhalation aneasthetic molecules in gas phase at medium energy range
Edgard Alejandro Miranda Sáenz (flash presentation), Department of Chemistry, Universidad Autónoma de Madrid, Spain, Theoretical Study of Oxygen Reduction Reaction (ORR) on Graphene and Pt-Supported Catalysts
Luis M. Molina (flash presentation), University of Valladolid, Spain, Hydrogen adsorption at graphene layers doped with transition metals: Insight from DFT simulations.
Sevinj Nuriyeva (flash presentation), Baku State University, Azerbaijan, Size-Dependent Optical and Luminescence Behavior of ZnO Hybrid Nanostructures for Optoelectronic Applications
Junjie Shi (flash presentation), TU Wien, Austria, From Methanol to C₂ Products: Active Surface Oxygen–Mediated Pathways in Methane Conversion over Ce–LaOₓ Catalysts
Alia Tadjer (flash presentation), University of Sofia, Bulgaria, Na⁺/Cu⁺ rivalry in organic solvents and on an inert surface
Vicente Timón (flash presentation), Instituto de Estructura de la Materia, CSIC, Madrid, Spain, The role of Water in Physisorption and Chemisorption of Pollutants within Copper Squarate: A DFT cluster study
Veljko Vujcic (flash presentation), Astronomical Observatory Belgrade, Serbia, Molecular Dissociative Recombination Theoretical Data into the ACol VAMDC Node for Confined Molecular Systems
İdris Yazgan (flash presentation), Kastamonu University, Turkey, Development of Fluorescent Gold Nanoparticles using Rhodamine 6G, Sulforhodamine B, Rhodamine 101, Fluorescein and Coumarin dyes for sensing applications
Scientific Committee
María Pilar de Lara-Castells (Action Chair)
Cristina Puzzarini (Action Vice-Chair)
Juan Carlos Hernández-Garrido (Scientific Grant Holder Representative)
Piotz Zuchowski (WG1 leader)
Sonja Grubisic (WG2 leader)
Alessandro Fortunelli (WG3 leader)
Marcel Mudrich (WG4 leader)
Lauri Halonen (WG5 leader)
