Name: IBER 2023
Start: 2023-09-05T17:00:00+01:00
End: 2023-09-08T23:15:00+01:00
Location: Department of Physics, University of Coimbra

IBER 2023

from Tuesday 5 September 2023 (17:00) to Friday 8 September 2023 (23:15)

Monday 4 September 2023
Tuesday 5 September 2023

17:00 Registration
Registration
17:00 - 18:00

18:00 Welcome Reception
Welcome Reception
18:00 - 20:00
Wednesday 6 September 2023

08:00 Registration
Registration
08:00 - 08:45

08:45 Opening Session
Opening Session
08:45 - 09:00
09:00
09:00 - 10:20
Contributions

09:00 Optical negative ion drift operation at nearly atmospheric pressure - Elisabetta Baracchini (Gran Sasso Science Institute)

09:40 Recent developments of the Geant4-DNA extension of the Geant4 Monte Carlo simulation toolkit - Sébastien Incerti (Univ. Bordeaux, CNRS, LP2I, UMR 5797, F-33170 Gradignan, France)
10:20
10:20 - 10:45
Contributions

10:20 Application of X-ray spectroscopy instrumentation in Forensic Sciences - Ignasi Queralt (IDAEA-CSIC)
10:45 Coffee break
Coffee break
10:45 - 11:10
11:10
11:10 - 12:00
Contributions

11:10 MOLECULAR STRUCTURE ELUCIDATION AND BEYOND WITH MICROWAVE ROTATIONAL SPECTROSCOPY - Sérgio Domingos (CFisUC, Department of Physics, University of Coimbra, Coimbra 3004-516, Portugal)

11:35 Complex forming reactions at the low temperatures of interstellar medium: from statistical to statistical methods - Octavio Roncero (Instituto de Física Fundamental (CSIC) Serrano 123, 28006 Madrid (Spain))
12:00
12:00 - 13:00
Contributions

12:00 Photodeactivation mechanisms of graphene quantum dots - Sandra Gómez Rodríguez (Universidad de Salamanca)

12:15 Charged nanosilicate Clusters and their Interaction with Oxygen: Astronomical Relevance - Joan Mariñoso Guiu (Universitat de Barcelona)

12:30 Proton diffusion in a benchmark entangled hydrogen bonding network - Bruno Martínez-Haya (Center of Nanoscience and Sustainable Technologies (CNATS), Department of Physical, Chemical and Natural Systems, Universidad Pablo de Olavide, 41013 Seville, Spain)

12:45 Simulation of Pm-Like Bismuth Spectra in an EBIT - J. P. Marques (LIP - Laboratório de Instrumentação e Física Experimental de Partículas)
13:00 Lunch
Lunch
13:00 - 14:30
14:30
14:30 - 15:10
Contributions

14:30 Nuclear Fusion Challenges and the Portuguese contribution - Bruno Gonçalves (Instituto de Plasmas e Fusão Nuclear, Instituto Superior Técnico, Universidade de Lisboa, Portugal)
15:10
15:10 - 16:00
Contributions

15:10 Laser excitation of the ground-hyperfine transition in muonic hydrogen - Pedro Amaro

15:35 Theoretical-computational comparative study of the persistent organic pollutants: adsorption, detection and permeability - Nicolás Ramos Berdullas (Universidade de Vigo)
16:00
16:00 - 16:30
Contributions

16:00 RAMAN THERMOMETRY OF CONFINED GAS MICRO-FLOWS - José M. Fernández (Instituto de Estructura de la Materia IEM-CSIC)

16:15 The Plasma Window as a Vacuum-Atmosphere Interface for Measurements of Stellar Neutron-Induced Reaction Cross Sections - Ophir Ruimi
16:30 Coffee break
Coffee break
16:30 - 16:55
16:55
16:55 - 17:45
Contributions

16:55 Exploring materials chemistry in flatland by applying surface spectroscopic methods - Tito Trindade (Universidade de Aveiro)

17:20 Ultrafast inter-system crossing in triply fused porphyrin - nanographenes - Juan Cabanillas Gonzalez (IMDEA Nanociencia)
17:45
17:45 - 18:30
Contributions

17:45 Variational principle to regularize machine-learned density functionals - Pablo del Mazo Sevillano

18:00 Determination of the absolute primary scintillation yield of pure krypton - Rui Daniel P Mano (LIBPhys-UC, Department of Physics, University of Coimbra)

18:15 Ultrafast X-ray and optical studies of charge carries dynamics in colloidal quantum dots - Wojciech Gawelda (Universidad Autónoma de Madrid / IMDEA Nanoscience, Madrid, Spain)
18:35
18:35 - 19:35
Contributions

18:35 Development of organic scintillators for neutron detection - João Luciano Amorim Azevedo (LIBPhys-UC, Department of Physics, University of Coimbra)

18:55 Optimization of a drone-mounted gamma scintillation detector for radiation mapping, surveillance and search operations - Joaquim M F Dos Santos (LIBPhys-UC, Department of Physics, University of Coimbra)

19:15 Molecular Dynamics Simulations Shed Light on Antimicrobial Peptide Interactions with COVID-19 Altered Membranes - ALEJANDRO SECO-GONZALEZ (CiQUS, University of Santiago de Compostela)

19:15 On the Determination of Lipid Monolayer Langmuir Isotherms via Molecular Dynamics. Too big of a stretch? - ALEXANDRE BLANCO-GONZALEZ (Universidade de Santiago de Compostela)

19:15 Exploring Chemical Pathways in Molecular Clouds: Unraveling CS Chemistry through CH + S, CS + H, and C2 + S Reactions - Niyazi Bulut

19:15 Simulating interstellar temperatures in the laboratory to study the gas-phase OH+NH2CHO reaction - Sara Espinosa Gómez (UNIVERSIDAD DE CASTILLA-LA MANCHA)

19:15 Atmospheric impact of hydrofluoroethers (HFEs) at a global scale: Can HFEs contribute to the global warming? - Elena Jiménez Martínez (UNIVERSIDAD DE CASTILLA-LA MANCHA)

19:15 Molybdenum disulfide coated gold nanostructures for biosensing using SERS - Beatriz Sousa (1Department of Chemistry and CICECO-Aveiro Institute of Materials, University of Aveiro, 3810-193 Aveiro, Portugal)

19:15 MICROSOLVATION OF α-PINENE OXIDE AS OBSERVED BY BROADBAND ROTATIONAL SPECTROSCOPY - C. CABEZAS (Instituto de Física Fundamental, CSIC, C/ Serrano 121, 28006 Madrid, Spain) E.M. NEEMAN (Univ. Lille, UMR 8523 - PhLAM - Physique des Lasers Atomes et Molecules, F-59000 Lille, France) I. Peña (Departamento de Química Física y Química Inorgánica, Facultad de Ciencias-Instituto CINQUIMA, Universidad de Valladolid, Paseo de Belén 7, 47011 Valladolid, Spain) J. R MORAN (Departamento de Química Física y Química Inorgánica, Facultad de Ciencias-Instituto CINQUIMA, Universidad de Valladolid, Paseo de Belén 7, 47011 Valladolid, Spain) N. OSSEIRAN (Univ. Lille, UMR 8523 - PhLAM - Physique des Lasers Atomes et Molecules, F-59000 Lille, France) S. COLLIGNON (Univ. Lille, UMR 8523 - PhLAM - Physique des Lasers Atomes et Molecules, F-59000 Lille, France) T.R. HUET (Univ. Lille, UMR 8523 - PhLAM - Physique des Lasers Atomes et Molecules, F-59000 Lille, France) W. Li (Departamento de Química Física y Química Inorgánica, Facultad de Ciencias-Instituto CINQUIMA, Universidad de Valladolid, Paseo de Belén 7, 47011 Valladolid, Spain)

19:15 Extreme-ultra-violet emission of W ions with open 4f-shell - Filipe Grilo (NOVA School of Science and Technology)

19:15 Gas-phase reaction of 2-methyl-2-pentenal with Cl atoms: kinetic and product study - José Albaladejo Pérez (UNIVERSIDAD DE CASTILLA-LA MANCHA) Elena Jiménez Martínez (UNIVERSIDAD DE CASTILLA-LA MANCHA)

19:15 NEXT - An international network for Nonlinear Extreme ultraviolet to hard X-ray Techniques - Wojciech Gawelda (Universidad Autónoma de Madrid / IMDEA Nanoscience)

19:15 High-wavenumber compressive Raman spectroscopy: a faster tool for melanoma diagnosis. - Pedro Vaz (LIBPhys, Department of Physics, University of Coimbra, Coimbra, Portugal)

19:15 C5N− in collision with He: rotational transitions in the ISM - Lola Gonzalez Sanchez (Universidad de Salamanca)

19:15 DIRAC-FOCK CALCULATIONS OF AUGER SPECTRUM IN Au: IMPACT ON SENSITIZED RADIOTHERAPY WITH NANOPARTICLES - Fábio Carmo (LIP - Lab. de Instrumentação e Física Experimental de Partículas/Faculdade de Ciências da Universidade de Lisboa) Jorge Sampaio (LIP - Lab. de Instrumentação e Física Experimental de Partículas)

19:15 Lipid monolayers as membrane models for cancer and infection: a synergic in-vitro/in-silico study - Paula Antelo Riveiro (Departamento de Física de Aplicada, Facultade de Física, Universidade de Santiago de Compostela, E-15782, Santiago de Compostela, Spain. Departamento de Química Orgánica, Center for Research in Biological Chemistry and Molecular Materials, Universidade de Santiago de Compostela, Campus Vida s/n, E-15782 Santiago de Compostela, Spain)

19:15 Magnetic resonance spectroscopy and imaging in the CASPEr dark matter experiment - Ophir Ruimi (for the CASPEr collaboration)

19:15 A computational study of the mode of action of the DAD photoswitch in the NaV1.5 channel - Lucía López Pacios (Department of Chemistry, Universidad Autónoma de Madrid)

19:15 Unveiling the photosensitivity mechanisms of UVB filter PABA - Julia Arnanz Sebastián (Department of Chemistry. Universidad Autónoma de Madrid)

19:15 The Raman spectrum of diacetyl revisited - José M. Fernández (Instituto de Estructura de la Materia CSIC)

19:15 Chemical characterization of microplastics by small-spot Energy Dispersive X-ray Fluorescence - Ignasi Queralt (IDAEA-CSIC)

19:15 Water-Induced Energy Reordering of the Equilibrium States in an Imine-Based Molecular Switch - Nuno Campos (CFisUC, Department of Physics, University of Coimbra)

19:15 Laser-induced breakdown spectroscopy as a sorting tool for high quality recycled wood chips in industrial environment - Diana Guimarães (Center for Applied Photonics, INESC TEC, Rua do Campo Alegre 687, 4169-007, Porto, Portugal e-mail: diana.f.guimarães@inesctec.pt b Departamento de Física e Astrofísica, Faculdade de Ciências da Universidade do Porto Rua do Campo Alegre 687, 4169-007, Porto, Portugal)

19:15 Unveiling the molecular conformation of 2-(2-pyridyl)benzo[b]thiophene using jet-cooled rotational spectroscopy - DOMINGO HERAS ELVIRA Not Supplied

19:15 Neutral bremsstrahlung emission spectrum in argon - Carlos Henriques

19:15 The Innovative PISA Concept in Medical Imaging - R. D. P. Mano (LIBPhys-UC, Department of Physics, Univesity of Coimbra)

19:15 Absolute primary scintillation yield in Xe for electrons and alpha particles - J. M. R. Teixeira (LIBPhys-UC, Department of Physics, University of Coimbra)

19:15 Strong Field QED Analysis With Bayesian Model Selection for He-Like Ions - César Godinho (LIBPhys-UNL)

19:15 X-ray Imaging with GEM-based detectors using Single-Pixel Imaging techniques - André Cortez (Nicolaus Copernicus Astronomical Center of the Polish Academy of Sciences)

19:15 Investigating Heavy Metal Elemental Distribution in Zebrafish (Danio Rerio) - Ana Silva

19:15 Photodissociation dynamics and alignment of CH2BrI in the third absorption band at 193 nm - Luis Bañares (Universidad Complutense de Madrid)

19:15 Comparison of the photodissociation dynamics of alkyl nitrites in the A and B absorption bands - Luis Bañares (Universidad Complutense de Madrid)

19:15 Dynamics of the photodissociation of methylamine: H and CH3 displacement channels - Luis Bañares (Universidad Complutense de Madrid)

19:15 New insights on the non-adiabatic dynamics of the ultrafast photodissociation of the methyl iodide cation - Sonia Marggi-Poullain (Dep. de Química Física, Facultad de Ciencias Químicas, Universidad Complutense de Madrid, 28040 Madrid, Spain)

19:15 Probing molecular dynamics using ultrafast XUV transient spectroscopy - S. Marggi-Poullain (Departamento de Química Física, Facultad de Ciencias Químicas, Universidad Complutense de Madrid, 28040, Madrid, Spain)

19:15 Ultra-Thin Converter Layers for Gas Based Neutron Position Detectors - Fernando Amaro (LIBPhys - University of Coimbra)

19:15 Evaluation of matrix effects on Formalin Fixed Paraffin Embedded tissue samples using μ-EDXRF - Maria Luísa Carvalho (NOVA School of Science and Technology & LIBPhys, Laboratory of Instrumentation, Biomedical Engineering and Radiation Physics, Campus Caparica, 2829-516, Caparica, Portugal. &)

19:15 Study of gaseous argon scintillation in the 160-650 nm range - Joana Maria Rodrigues Teixeira (LIBPhys-UC, Department of Physics, University of Coimbra)

19:15 A Gas Proportional Scintillation Counter with annular geometry - Pedro A O C Silva (LIBPhys-UC, Department of Physics, University of Coimbra)

19:15 Application of WLS fibers for xenon scintillation readout - Ana Isabel (LIBPhys-UC, Department of Physics, University of Coimbra)

19:20 First-principles computations on guest-host (lattice) systems: He inclusion in hydrates - Rita Prosmiti (Institute of Fundamental Physics (IFF-CSIC))
Thursday 7 September 2023

08:50 Conference Information
Conference Information
08:50 - 09:00
09:00
09:00 - 10:20
Contributions

09:00 Real-time imaging and control of electron motion in molecules: towards attochemistry - Fernando Martin (Universidad Autonoma de Madrid)

09:40 Real-time observation of conical intersection in biomolecules - Giulio Nicola Felice Cerullo (Politecnico di Milano)
10:20
10:20 - 10:45
Contributions

10:20 On the use of in-situ non-invasive spectroscopic techniques to unveil ancient artistic materials - Catarina Miguel (Laboratório HERCULES - Universidade de Évora)
10:45 Coffee break
Coffee break
10:45 - 11:10
11:10
11:10 - 12:00
Contributions

11:10 Modelling Enzyme Activity Behind Antimicrobial Resistance - REYNIER SUARDÍAZ (UNIVERSIDAD COMPLUTENSE DE MADRID)

11:35 Breakthroughs in Solar-Powered Lasers - Joana Almeida (Centro de Física e Investigação Tecnológica (CEFITEC), Departamento de Física, Faculdade de Ciências e Tecnologia, Universidade NOVA de Lisboa, 2829-516 Caparica, Portugal)
12:00
12:00 - 13:00
Contributions

12:00 Exploring space chemistry: quantum spectroscopic characterization of Ng-containing molecules through machine learning algorithms. - María Judit Montes de Oca Estevez (IFF-CSIC)

12:15 Photophysics of protonated vanillin in the gas phase: a laser action spectroscopy and theoretical approach - Alejandro Gutiérrez Quintanilla (IPREM (Université de Pau et des Pays de l’Adour)))

12:30 Measuring physical quantities of CO2 by Raman spectroscopy - Carlos Alvarez (Instituto de Estructura de la Materia IEM-CSIC)

12:45 Using a 125 μm thick COBRA to increase the light yield of He-CF4 gas mixtures - Rita Roque
13:00 Lunch
Lunch
13:00 - 14:30
14:30
14:30 - 15:10
Contributions

14:30 Surprising reaction dynamics of radical cations following electron ionization - Marcos Dantus (Michigan State University)
15:10
15:10 - 16:00
Contributions

15:10 Single photon autioinization of aromatic molecules in solution - ASIER LONGARTE (Universidad del País Vasco (UPV/EHU))

15:35 Azobenzene Molecules Towards the Creation of Molecular Photonics - P.A. Ribeiro (Azobenzene molecules present TRANS-CIS isomerization capabilities about the N=N bound, which can be induced with light. The TRANS conformation, naturally the most energetically stable at room temperature, can be converted into CIS conformation under the action of light, with the rate of TRANS-CIS-TRANS conversion for a given molecular system dependent on temperature and light, namely light intensity, wavelength, and light electric filed direction with respect to molecular dipole moment. This process is accompanied by molecular reorientation can be used to optically induce birefringence and to create relief grating in the medium containing azobenzene molecules. The main use of materials is in photonics, namely in optical storage, sensors, energy conversion devices and information processing, reason for which these materials have been widely investigated over the past years. A general overview of these materials features will be drawn, its applications and trends.)
16:00
16:00 - 16:45
Contributions

16:00 TRIGGERING EXCITED STATE DYNAMICS IN GRAPHENE QUANTUM DOTS: THE ABSORPTION SPECTRUM OF CORONENE AND CIRCUMCORONENE - Alberto Martín Santa Daría (Universidad de Salamanca)

16:15 Benzimidazole: One molecule - two photoreactions - Igor Reva (University of Coimbra)

16:30 Interstellar detection of carbonic acid (HOCOOH) at last - Miguel Sanz Novo (Centro de Astrobiología (CAB, INTA-CSIC))
16:45 Coffee break
Coffee break
16:45 - 17:10
17:10
17:10 - 18:00
Contributions

17:10 Quantum Stereodynamics of cold collisions between two aligned molecules - PABLO GARCÍA JAMBRINA (Universidad de Salamanca)

17:35 Exploring Quantum Tunneling in Organic Reactions - José Roque (Universidade de Coimbra)
18:00
18:00 - 19:00
Contributions

18:00 Exploring the Interaction of Endogenous Therapeutic Peptides with Lipid Membranes: Insights from Biased calculations. - Daniel Conde Torres (CiQUS, Universidade de Santiago de Compostela)

18:15 THCOBRA detector performance in mixtures of Kr/Xe mixtures - Lara Filipa Das Neves Dias Carramate (University of Aveiro (PT)) Lara Filipa Das Neves Dias Carramate (University of Aveiro (PT))

18:30 Time evolution of natural orbitals in ab initio molecular dynamics - Mario Piris

18:45 Atomic Calculations and Data Using the MultiConfiguration Dirac-Fock General Matrix Elements (MCDFGME) code - Daniel Pinheiro (LIBPhys-UNL)
Friday 8 September 2023
09:00
09:00 - 10:20
Contributions

09:00 Present and Future of the ALBA Synchrotron - Caterina Biscari (ALBA Synchrotron)

09:40 Ultrafast dynamics in microsolvated biomolecules - Jochen Küpper (Center for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron DESY, Hamburg, Germany Department of Physics, Universität Hamburg, Hamburg, Germany Department of Chemistry, Universität Hamburg, Hamburg, Germany Center for Ultrafast Imaging, Universität Hamburg, Hamburg, Germany)
10:20
10:20 - 10:45
Contributions

10:20 Unveiling the interstellar grain surface chemistry by means of quantum mechanical simulations - Albert Rimola (Departament de Química, Universitat Autònoma de Barcelona, 08193 Bellaterra, Catalonia, Spain)
10:45 Coffee break
Coffee break
10:45 - 11:10
11:10
11:10 - 12:00
Contributions

11:10 AMBER: an experiment for Hadron structure - Carlos Azevedo (University of Aveiro)

11:35 NEXT: a neutrinoless double beta experiment - Martín Pérez Maneiro
12:00
12:00 - 13:00
Contributions

12:00 Ultralong-range Cs-RbCs Rydberg molecule: non-adiabaticity of dipole moments - David Mellado-Alcedo ([1] Departamento de F\'{\i}sica, Universidad de C\'ordoba, 14071 C\'ordoba, Spain and [2] Departamento de F\'{\i}sica At\'omica, Molecular y Nuclear, Universidad de Granada, 18071 Granada, Spain)

12:15 The PISA Photosensor for Multi-Ton Rare Event Detectors - Cristina M Bernardes Monteiro (LIBPhys-UC, Department of Physics, Univesity of Coimbra)

12:30 Non-Covalent Interactions in Carbon Dioxide Clusters: Comparison Between the Thiophenol-CO$_2$ and Benzylmercaptan-CO$_2$ Dimers Using Microwave Spectroscopy - Wenqin Li (1Departmento de Química Física y Química Inorgánica, Facultad de Ciencias – Instituto CINQUIMA, Universidad de Valladolid)

12:45 Status and recent results of the XENONnT experiment - Ricardo Peres (University of Zurich)
13:00 Lunch
Lunch
13:00 - 14:10

14:10 Guided visit to the Old University
Guided visit to the Old University
14:10 - 15:40
15:45
15:45 - 16:10
Contributions

15:45 Laser-induced breakdown spectroscopy: challenges and perspectives for scientific, technological and industrial applications - Diana Guimarães (Center for Applied Photonics, INESC TEC, Rua do Campo Alegre 687, 4169-007, Porto, Portugal; Departamento de Física e Astrofísica, Faculdade de Ciências da Universidade do Porto Rua do Campo Alegre 687, 4169-007, Porto, Portugal)
16:10
16:10 - 17:10
Contributions

16:10 A new analytical potential energy surface for (H2+)He cluster - Javier Hernández Rojas (Departamento de Física e IUdEA. Universidad de La Laguna, 38200, La Laguna, Tenerife. Spain)

16:25 Investigating the Catalytic Mechanism of β-Cyclodextrin Dimer in Previtamin D3 Isomerization - David Ferro-Costas (Universidade de Santiago de Compostela)

16:40 The cationic lithium dimer solvated in He clusters: Molecular Dynamics Simulations. - Pablo Villarreal

16:55 Effect of the intersystem crossings in the S⁺+H2 reaction - Alexandre Zanchet (CSIC)
17:10 Coffee break
Coffee break
17:10 - 17:35
17:35
17:35 - 18:00
Contributions

17:35 Strategies for improved light detection in noble element radiation detectors - André Cortez (Nicolaus Copernicus Astronomical Center of the Polish Academy of Sciences)
18:00
18:00 - 19:15
Contributions

18:00 Computational Ingredients to Model Biological Processes - Juan Jose Nogueira Pérez (Universidad Autónoma de Madrid)

18:15 Unveiling the Aggregation Patterns of Curcumin and Piperine Mixtures in different Polar Media: A Molecular Dynamics Investigation - Joana R. C. Santos (CQC-IMS, Department of Chemistry, University of Coimbra, 3004-535 Coimbra, Portugal)

18:30 Understanding the formation of aromatic compounds in the interstellar space - CASTIÑEIRA REIS MARTA Not Supplied

18:45 Improvement and benchmarking of atomic data for kilonova modeling - Luís Leitão (LIP - Laboratório de Instrumentação e Física Experimental de Partículas and Faculdade de Ciências, Universidade de Lisboa (FCUL))

19:00 Exploring the secondary structure of Host Defense Peptides in their biological environment. A Molecular Dynamics approach. - Fabián Suárez-Lestón (Department of Organic Chemistry, Center for Research in Biological Chemistry and Molecular Materials, CIQUS, Universidade de Santiago de Compostela, Santiago de Compostela, Spain & Department of Applied Physics, Facultade de Física, Universidade de Santiago de Compostela, Santiago de Compostela, Spain & MD.USE Innovations S.L., Ed. Emprendia, Campus Vida, Santiago de Compostela, Spain)
20:15 Conference Dinner
Conference Dinner
20:15 - 23:15

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