André Severo Pereira Gomes
134
Documents
Affiliations actuelles
- 404926
Identifiants chercheurs
- andre-severo-pereira-gomes
- ResearcherId : E-1694-2012
- 0000-0002-5437-2251
- Google Scholar : https://scholar.google.com/citations?user=OzTK7E4AAAAJ
- IdRef : 200488236
- ResearcherId : http://www.researcherid.com/rid/E-1694-2012
- Arxiv : severopereiragomes_a_1
Présentation
Chargé de Recherche @ CNRS
Member of the team "Physico-Chimie Moleculaire Theorique (PCMT)" at the "Physique des Lasers, Atomes et Molecules" Laboratory (PhLAM, CNRS UMR 8523, Universite de Lille).
Publications
- 92
- 53
- 26
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Electronic structure of uranyl complexes probed by valence and X-ray spectroscopy2024 MRS Spring Meeting, Apr 2024, Seattle, United States
Communication dans un congrès
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The electronic structure of actinides tailored by relativistic quantum chemistry approaches: applications to X-ray spectroscopiesEuropean Conference on Computational and Theoretical Chemistry (CompChem 2023), Aug 2023, Thessaloniki, Greece
Communication dans un congrès
hal-04112889v1
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Exploring luminescence properties of uranyl-based complexes by TRLFS and ab initio method11th international conference on f elements, Aug 2023, Strasbourg, France
Communication dans un congrès
hal-04085802v1
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Surface spectroscopic analysis of aqueous phase iodine oxides : Electron binding energy and surface propensityiCACGP-IGAC joint International Atmospheric Chemistry conference, Sep 2022, Manchester, United Kingdom
Communication dans un congrès
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Exploring excited state potential energy profile and luminescence properties of f-element complexes by TRLFS and ab initio methodJournées plénières 2022 du GDR EMIE, Jun 2022, Dunkerque, France
Communication dans un congrès
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Assessing MP2 frozen natural orbitals in relativistic correlated electronic structureGDR NBODY GENERAL MEETING 2022, Jan 2022, Toulouse, France
Communication dans un congrès
hal-03522802v1
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Challenges in relativistic electronic structure calculations of gas-phase reactivity and thermodynamics of actinide speciesPlutonium Futures: The Science 2022, Sep 2022, Avignon, France
Communication dans un congrès
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Exploring luminescence properties of uranyl-based complexes by TRLFS and ab initio methodATAS-AnXAS Workshop, Oct 2022, Grenoble, France
Communication dans un congrès
hal-03701489v1
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Exploring excited state potential energy profile and luminescence properties of uranyl-based complexes by TRLFS and ab initio method29th Rare Earth Research Conference (RERC29), Jun 2022, Philadelphia, United States
Communication dans un congrès
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Incorporating many-body and environment effects on luminescence and core spectroscopiesGDR NBODY GENERAL MEETING 2022, Jan 2022, Toulouse, France
Communication dans un congrès
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Relativistic correlated electronic structure and the calculation of accurate ground-state, core and valence properties of heavy element speciesATAS-AnXAS, Oct 2022, Grenoble, France
Communication dans un congrès
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Apports de la modélisation théorique à la radiochimie moléculaire2es Rencontres Rayonnement Radio-Chimie, Aug 2022, Nice, France
Communication dans un congrès
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Relativistic correlated electronic structure and the calculation of accurate ground-state, core and valence properties of heavy element speciesREHE – 2020/2022 13th International Conference on Relativistic Effects in Heavy-Element Chemistry and Physics, Sep 2022, Assisi, Italy
Communication dans un congrès
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Exploring excited state potential energy profile and luminescence properties of uranyl-based complexes by TRLFS and ab initio methodActinide revisited 2022, Sep 2022, Dresden, Germany
Communication dans un congrès
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Theoretical core spectroscopy of molecules interacting with ice surfacesPacifichem, The International Chemical Congress of Pacific Basin Societies, Dec 2021, Honolulu, United States
Communication dans un congrès
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Investigation of the behavior of tropospheric relevant compounds at the interface gas/organic acid aerosols: An ONIOM QM/MM studyEGU General Assembly 2021, Apr 2021, Online, France
Communication dans un congrès
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Relativistic Equation-of-Motion Coupled-Cluster Calculations at the Uranium L-edgeCONEXS Conference 2021: Emerging Trends in X-Ray Spectroscopy., Mar 2021, Didcot, United Kingdom
Communication dans un congrès
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Assessing MP2 frozen natural orbitals in relativistic correlated electronic structure calculationsWebinar..a way to REHE2022, Nov 2021, Online, Italy
Communication dans un congrès
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Electronic structure of actinide systems from relativistic correlated and quantum embedding approachesTopical meeting on Condensed-Matter Chemistry on Actinides: The Kumatori meeting 2021, Feb 2021, Kyoto, Japan
Communication dans un congrès
hal-03132192v1
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Challenges in relativistic electronic structure calculations of gas-phase reactivity and thermodynamics of actinide speciesInternational Workshop on Theory Frontiers in Actinide Sciences: Chemistry and Materials, Feb 2020, Santa Fe, United States
Communication dans un congrès
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Determining core electron binding energies with four-component based EOM-CCSD approachesTorun's Astrochemistry, theoretical Spectroscopy and Quantum chemistry group Minisymposium, Oct 2020, Torún, Poland
Communication dans un congrès
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2020 et les premiers pas du « Cluster de recherche » OVERSEE (mOdélisation innoVante dEs aéRoSols dE radionucléidEs »Journée scientifique IRePSE, Nov 2020, Lille, France
Communication dans un congrès
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Relativistic equation of motion coupled cluster theoryPremière réunion générale du GDR NBODY : Problème Quantique à N Corps en Chimie et Physique, Jan 2020, Lille, France
Communication dans un congrès
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Molecular level modeling of aerosol particles: inputs and limitationsEuropean Virtual Workshop on Molecular Simulations of Atmospheric Systems, Virtual workshop, Jun 2020, Lausanne, Switzerland
Communication dans un congrès
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Relativistic equation of motion coupled cluster based on four-compoment HamiltoniansISTCP 2019 - 10th Triennial Congress of the International Society for Theoretical Chemical Physics, Jul 2019, Tromsø, Norway
Communication dans un congrès
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Vision lilloise de la modélisation moléculaire de systèmes complexes environnésRencontres Prospectives 2019 : "Modélisations multi-échelle", Jun 2019, Nantes, France
Communication dans un congrès
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Exploring the dynamic and thermodynamic properties of halides through molecular dynamics simulations257th American Chemical Society National Meeting, American Chemical Society, Jan 2019, Orlando, United States
Communication dans un congrès
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Modélisation moléculaire pour les radioéléments de la phase gazeuse à la phase solvatée25ème Congrès Général de la Société Française de Physique, Jul 2019, Nantes, France
Communication dans un congrès
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Caractérisation des Radioéléments par Modélisation MoléculaireCOLLOQUE MÉTALLO-MIX -- Les éléments métalliques : un trait d’union entre les sciences, CNRS MITI, Oct 2019, Paris, France
Communication dans un congrès
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Relativistic Correlated Methods for Predictions of Volatile Plutonium Thermodynamic PropertiesComputation and Understanding in Quantum Molecular Science, Sep 2019, Toulouse, France
Communication dans un congrès
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Predicting solvent effects on the photoelectron spectra of halide ions with WFT-in-DFT embedding1res Journées Scientifiques du GDR 2035 SolvATE, May 2018, Nancy, France
Communication dans un congrès
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Exploring the dynamic and thermodynamic properties of halides through molecular dynamics simulationsJournée de la solvatation, Oct 2018, Lille, France
Communication dans un congrès
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Solvent effects on NMR shielding of MoO42- via relativistic Frozen Density Embedding1res Journées Scientifiques du GDR 2035 SolvATE, May 2018, Nancy, France
Communication dans un congrès
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Investigation of thermodynamics properties of gaseous plutonium oxides through a deep dive into electronic structure10th International Conference on f-Elements (ICFE-10), Sep 2018, Lausanne, Switzerland
Communication dans un congrès
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Investigation of thermodynamics properties of gaseous plutonium oxides through a deep dive into electronic structureStrasbourg satellite meeting to the 16th ICQC: Strong correlation in electronic structure theory, Jun 2018, Strasbourg, France
Communication dans un congrès
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Electronic states of (ultra) heavy halogen species with four-component based equation of motion coupled cluster methodsMESM2018 Molecular Electronic Structure, Aug 2018, Metz, France
Communication dans un congrès
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Calculating NMR shieldings and indirect spin-spin couplings of heavy element species in solution with relativistic molecular ab initio approachesRéunion RMN Grand Bassin Parisien, Nov 2018, Villeneuve d'Ascq, France
Communication dans un congrès
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Combining DMRG with standard relativistic multireference methods to probe the properties of strongly correlated systems: Plutonium oxidesJTMS17 "Journées Théorie, Modélisation et Simulation 2017", Jun 2017, Paris, France
Communication dans un congrès
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Méthodes multi-références relativistes pour analyser les propriétés des systèmes fortement corrélés: oxydes de plutoniumRéunion plénière – Forum jeunes chercheurs du GdR de Spectroscopie Moléculaire SPECMO, PhLAM laboratory, May 2017, Lille, France
Communication dans un congrès
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Combining DMRG with standard relativistic multireference methods to probe the properties of plutonium oxide moleculesREHE-2017, 12th International Conference on Relativistic Effects in Heavy-Element Chemistry and Physics, Sep 2017, Marburg, Germany
Communication dans un congrès
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Combining DMRG with standard relativistic multireference methods to probe the properties of plutonium oxide moleculesAVS 64th International Symposium, Oct 2017, Tampa, Florida, United States
Communication dans un congrès
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Exploration of excited, electron attachment and detachment states of (ultra)heavy halogen species with relativistic 4-component EOM-CC methods12th International Conference on Relativistic Effects in Heavy-Element Chemistry and Physics, Sep 2017, Marburg, Germany
Communication dans un congrès
hal-01580807v1
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Relativistic Coupled Cluster theory for the Calculation of Ground and Excited State Energies and Molecular Properties19th DIRAC Working Group Meeting 2016, May 2016, Odensee, Denmark
Communication dans un congrès
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Spectroscopy of heavy elements species in the condensed phase: a theoretical perspectivePhysicochemical Colloquium, Technische Universität Braunschweig, Nov 2016, Braunschweig, Germany
Communication dans un congrès
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Frozen-density Embedding Calculation of Second-order Magnetic Properties in the Relativistic FrameworkISTCP IX 2016 Conference, Jul 2016, Grand Forks, United States
Communication dans un congrès
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Relativistic correlated calculations of the thermodynamics properties of gaseous plutonium oxidesQuatrième réunion annuelle du GDR ThéMS, Laboratoire PhLAM, UMR 8523 CNRS, Université de Lille, Dec 2016, Lille, France
Communication dans un congrès
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Progress on FDE second-order magnetic properties19th DIRAC Working Group Meeting 2016, May 2016, Odensee, Denmark
Communication dans un congrès
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Accessing Properties of Large Actinide systems with Frozen-Density EmbeddingPacifichem, The International Chemical Congress of Pacific Basin Societies, Dec 2015, Honolulu, Hawaii, United States
Communication dans un congrès
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The role of spin-orbit coupling on the chemical bonding in At2 and AtO+: analysis via effective bond ordersWATOC 2014, Oct 2014, Santiago de Chile, Chile
Communication dans un congrès
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Molecules in condensed phase, the ab initio way: using embedding methods to calculate local properties of large-scale systemsRéunion du GDR2758 ``Agrégation, fragmentation et thermodynamique de systèmes moléculaires complexes isolés'', Nov 2009, Toulouse, France
Communication dans un congrès
hal-02961018v1
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Modeling environment effect on heavy-element compoundsYanez, Manuel; Boyd, Russell J. Comprehensive Computational Chemistry, 3, Elsevier, pp.129-154, 2024, ⟨10.1016/B978-0-12-821978-2.00099-4⟩
Chapitre d'ouvrage
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Applied Computational Actinide ChemistryMichael Dolg. Computational Methods in Lanthanide and Actinide Chemistry, John Wiley and Sons, pp.269-298, 2015, 9781118688304. ⟨10.1002/9781118688304.ch11⟩
Chapitre d'ouvrage
hal-01218658v1
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Interoperable Workflows by Exchanging Grid-Based Data between Quantum-Chemical Program Packages2024
Pré-publication, Document de travail
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Solvation effects on halides core spectra with Multilevel Real-Time quantum embedding2024
Pré-publication, Document de travail
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On the calculation of molecular properties of heavy element systems with ab initio approaches: from gas-phase to complex systemsTheoretical and/or physical chemistry. Universite de Lille, 2016
HDR
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