Ramón L. Panadés-Barrueta

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Daniel PeláezProfessor Theoretical Chemistry - ISMO - Université Paris Sud - Paris SaclayVerified email at universite-paris-saclay.fr
Dorothea GolzeTU Dresden, GermanyVerified email at tu-dresden.de
Emilio Martinez-NunezProfessor of Physical ChemistryVerified email at usc.gal
Matteo GiantomassiUniversité catholique de LouvainVerified email at uclouvain.be
Maryam AziziInstitute of Condensed Matter and Nanosciences (IMCN), Université catholique de Louvain (UCLouvain)Verified email at uclouvain.be
Jan WilhelmUniversity of RegensburgVerified email at physik.uni-regensburg.de
Xavier GonzeProfessor of Computational Material Science (UCLouvain, Belgium)Verified email at uclouvain.be
Francisco A. DelesmaTU DresdenVerified email at tu-dresden.de
Patrick RinkeProfessor at Technical University Munich, GermanyVerified email at tum.de
Fabien GattiResearch professor CNRS, University Paris SaclayVerified email at u-psud.fr
Anthony scemamaCNRS, Université Paul Sabatier, ToulouseVerified email at irsamc.ups-tlse.fr
Saverio MoroniCNR-IOM DEMOCRITOS and SISSA, Trieste, ItalyVerified email at democritos.it
Stuart ShepardPostdoctoral Researcher at University of TwenteVerified email at binghamton.edu
Lei ShiUniversité Paris-SaclayVerified email at universite-paris-saclay.fr
Claudia DraxlEinstein Professor of Physics, Humboldt-Universität zu BerlinVerified email at physik.hu-berlin.de
Andris GulansUniversity of LatviaVerified email at lu.lv
Alex BuccheriResearch Software Engineer, Max Planck Institute for the Structure and Dynamics of MatterVerified email at mpsd.mpg.de
Jesus Rubayo-SoneiraProfessor of High Institute of Applied Science and Technology. University of Havana.Verified email at instec.cu
Alejandro Rivero SantamaríaUniversité de LilleVerified email at univ-lille.fr
Denis DuflotUniversité de Lille Faculté des Sciences et Technologies, Laboratoire de Physique des Lasers, AtomesVerified email at univ-lille.fr

Ramón L. Panadés-Barrueta

Algorithmiq

Verified email at algorithmiq.fi - Homepage

Computational Science Quantum Computing


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Accelerating core-level calculations by combining the contour deformation approach with the analytic continuation of RL Panadés-Barrueta, D Golze Journal of Chemical Theory and Computation 19 (16), 5450–5464, 2023	19	2023
Low-rank sum-of-products finite-basis-representation (SOP-FBR) of potential energy surfaces RL Panadés-Barrueta, D Peláez The Journal of Chemical Physics 153 (23), 2020	15	2020
Double excitation energies from quantum Monte Carlo using state-specific energy optimization S Shepard, RL Panadés-Barrueta, S Moroni, A Scemama, C Filippi Journal of chemical theory and computation 18 (11), 6722-6731, 2022	14	2022
Specific reaction parameter multigrid POTFIT (SRP-MGPF): Automatic generation of sum-of-products form potential energy surfaces for quantum dynamical calculations RL Panades-Barrueta, E Martínez-Núñez, D Peláez Frontiers in Chemistry 7, 576, 2019	9	2019
Analytical high-dimensional operators in canonical polyadic finite basis representation (CP-FBR) N Nadoveza, RL Panadés-Barrueta, L Shi, F Gatti, D Peláez The Journal of Chemical Physics 158 (11), 2023	6	2023
Time-frequency component of the GreenX library: minimax grids for efficient RPA and GW calculations M Azizi, J Wilhelm, D Golze, M Giantomassi, RL Panadés-Barrueta, ... Journal of Open Source Software 8 (90), 5570, 2023	5	2023
Validation of the GreenX library time-frequency component for efficient GW and RPA calculations M Azizi, J Wilhelm, D Golze, FA Delesma, RL Panadés-Barrueta, P Rinke, ... arXiv preprint arXiv:2403.06709, 2024	3	2024
On the sum-of-products to product-of-sums transformation between analytical low-rank approximations in finite basis representation RL Panadés-Barrueta, N Nadoveza, F Gatti, D Peláez The European Physical Journal Special Topics 232 (12), 1897-1904, 2023	1	2023
Full quantum simulations of the interaction between atmospheric molecules and model soot particles RL Panadés-Barrueta Université de Lille (2018-2021), 2020	1	2020
Mean Potential Phase Space Theory Study of the Si (3P)+ OH (X2Π)→ SiO (X1Σ+)+ H (2S) Reaction RL Panadés-Barrueta, J Rubayo-Soneira, M Monnerville, P Larregaray, ... Revista Cubana de Física 33 (2), 102-117, 2016	1	2016
Automatic Determination of the Non‐Covalent Stable Conformations of the NO₂‐Pyrene Cluster in Full Dimensionality (81D) Using the vdW‐TSSCDS Approach RL Panadés‐Barrueta, D Duflot, J Soto, E Martínez‐Núñez, D Peláez ChemPhysChem 25 (10), e202301001, 2024		2024

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