André Severo Pereira Gomes (André S P Gomes)

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 17

Top Venues

Journal of chemical theory and computation

Physical chemistry chemical physics : PCCP

Inorganic chemistry

Chemical science

Centre National de la Recherche Scientifique

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Centre National de la Recherche Scientifique Oct 01 2009

France

Chargé de Recherche - Researcher :: Laboratoire de Physique des Lasers, Atomes et Molecules, UMR8523

Université de Lille I Apr 01 2009 - Sep 30 2009

France

Postdoctoral Researcher :: Laboratoire de Physique des Lasers, Atomes et Molecules, UMR8523

VU University Amsterdam Apr 01 2007 - Mar 31 2009

Netherlands

Postdoctoral Researcher :: Theoretical Chemistry

Université de Strasbourg Apr 01 2006 - Mar 31 2007

France

Postdoctoral Researcher :: Institut de Chimie, UMR7177

VU University Amsterdam May 01 2005 - Mar 31 2006

Netherlands

Postdoctoral Researcher :: Theoretical Chemistry

Publications

Xiang Yuan, Loïc Halbert, Johann Valentin Pototschnig, Anastasios Papadopoulos, Sonia Coriani, Lucas Visscher, André Severo Pereira Gomes
Formulation and Implementation of Frequency-Dependent Linear Response Properties with Relativistic Coupled Cluster Theory for GPU-Accelerated Computer Architectures. Journal of chemical theory and computation (2024)
Xiang Yuan, Loïc Halbert, Johann Valentin Pototschnig, Anastasios Papadopoulos, Sonia Coriani, Lucas Visscher, André Severo Pereira Gomes
Formulation and Implementation of Frequency-Dependent Linear Response Properties with Relativistic Coupled Cluster Theory for GPU-Accelerated Computer Architectures. Journal of chemical theory and computation 20 (2) (2024)
Hanna Oher, André Severo Pereira Gomes, Richard E Wilson, David D Schnaars, Valérie Vallet
How Does Bending the Uranyl Unit Influence Its Spectroscopy and Luminescence? Inorganic chemistry (2023)
Wilken Aldair Misael, André Severo Pereira Gomes
Core Excitations of Uranyl in Cs 2 UO 2 Cl 4 from Relativistic Embedded Damped Response Time-Dependent Density Functional Theory Calculations. Inorganic chemistry (2023)
Xiang Yuan, Loïc Halbert, Lucas Visscher, André Severo Pereira Gomes
Frequency-Dependent Quadratic Response Properties and Two-Photon Absorption from Relativistic Equation-of-Motion Coupled Cluster Theory. Journal of chemical theory and computation (2023)
Nicholas R Andreychuk, Balamurugan Vidjayacoumar, Jeffrey S Price, Sophie Kervazo, Craig A Peeples, David J H Emslie, Valérie Vallet, André Severo Pereira Gomes, Florent Réal, Georg Schreckenbach, Paul W Ayers, Ignacio Vargas-Baca, Hilary A Jenkins, James F Britten
Uranium(iv) alkyl cations: synthesis, structures, comparison with thorium(iv) analogues, and the influence of arene-coordination on thermal stability and ethylene polymerization activity. Chemical science 13 (46) (2022)
Richard A Opoku, Céline Toubin, André Severo Pereira Gomes
Simulating core electron binding energies of halogenated species adsorbed on ice surfaces and in solution via relativistic quantum embedding calculations. Physical chemistry chemical physics : PCCP 24 (23) (2022)
Matteo De Santis, Diego Sorbelli, Valérie Vallet, André Severo Pereira Gomes, Loriano Storchi, Leonardo Belpassi
Frozen-Density Embedding for Including Environmental Effects in the Dirac-Kohn-Sham Theory: An Implementation Based on Density Fitting and Prototyping Techniques. Journal of chemical theory and computation 18 (10) (2022)
Nicholas R Andreychuk, Balamurugan Vidjayacoumar, Jeffrey S Price, Sophie Kervazo, Craig A Peeples, David J H Emslie, Valérie Vallet, André Severo Pereira Gomes, Florent Réal, Georg Schreckenbach, Paul W Ayers, Ignacio Vargas-Baca, Hilary A Jenkins, James F Britten
Uranium(iv) alkyl cations: synthesis, structures, comparison with thorium(iv) analogues, and the influence of arene-coordination on thermal stability and ethylene polymerization activity. Chemical science 13 (46) (2022)
Johann V Pototschnig, Kenneth G Dyall, Lucas Visscher, André Severo Pereira Gomes
Electronic spectra of ytterbium fluoride from relativistic electronic structure calculations. Physical chemistry chemical physics : PCCP 23 (39) (2021)
Johann V Pototschnig, Anastasios Papadopoulos, Dmitry I Lyakh, Michal Repisky, Loïc Halbert, André Severo Pereira Gomes, Hans Jørgen Aa Jensen, Lucas Visscher
Implementation of Relativistic Coupled Cluster Theory for Massively Parallel GPU-Accelerated Computing Architectures. Journal of chemical theory and computation 17 (9) (2021)
Loïc Halbert, Marta L Vidal, Avijit Shee, Sonia Coriani, André Severo Pereira Gomes
Relativistic EOM-CCSD for Core-Excited and Core-Ionized State Energies Based on the Four-Component Dirac-Coulomb(-Gaunt) Hamiltonian. Journal of chemical theory and computation 17 (6) (2021)
Matteo De Santis, Leonardo Belpassi, Christoph R Jacob, André Severo Pereira Gomes, Francesco Tarantelli, Lucas Visscher, Loriano Storchi
Environmental Effects with Frozen-Density Embedding in Real-Time Time-Dependent Density Functional Theory Using Localized Basis Functions. Journal of chemical theory and computation 16 (9) (2020)
Sophie Kervazo, Florent Réal, François Virot, André Severo Pereira Gomes, Valérie Vallet
Accurate Predictions of Volatile Plutonium Thermodynamic Properties. Inorganic chemistry 58 (21) (2019)
Katharina Boguslawski, Florent Réal, Paweł Tecmer, Corinne Duperrouzel, André Severo Pereira Gomes, Örs Legeza, Paul W Ayers, Valérie Vallet
On the multi-reference nature of plutonium oxides: PuO22+, PuO2, PuO3 and PuO2(OH)2. Physical chemistry chemical physics : PCCP 19 (6) (2018)
Małgorzata Olejniczak, Radovan Bast, André Severo Pereira Gomes
On the calculation of second-order magnetic properties using subsystem approaches in a relativistic framework. Physical chemistry chemical physics : PCCP 19 (12) (2018)
Avijit Shee, Trond Saue, Lucas Visscher, André Severo Pereira Gomes
Equation-of-motion coupled-cluster theory based on the 4-component Dirac-Coulomb(-Gaunt) Hamiltonian. Energies for single electron detachment, attachment, and electronically excited states. The Journal of chemical physics 149 (17) (2018)

André Severo Pereira Gomes.css-eqlu8i{font-size:small;padding-left:4px;} (André S P Gomes)

Publication Activity (10 Years)

Top Topics

Top Venues

André Severo Pereira Gomes (André S P Gomes)