Ramón L. Panadés‐Barrueta

Laboratoire de Chimie Théorique — France

Physics and Astronomy · Physical Sciences

7h-index115citations25works2.32yr avg
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Research Topics

Advanced Chemical Physics Studies(16), Quantum, superfluid, helium dynamics(7), Machine Learning in Materials Science(6), Spectroscopy and Quantum Chemical Studies(5), Atmospheric chemistry and aerosols(3)

Publications24 total

QMCkl: A Kernel Library for Quantum Monte Carlo Applications
ArXiv.org·2025Open Access
QMCkl: A Kernel Library for Quantum Monte Carlo Applications
arXiv (Cornell University)·2025Open Access
Analytic continuation component of the GreenX library: robust Padé approximants with symmetry constraints
The Journal of Open Source Software·2025· 3 citedOpen Access
Validation of the GreenX library time-frequency component for efficient <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>G</mml:mi><mml:mi>W</mml:mi></mml:mrow></mml:math> and RPA calculations
Physical review. B./Physical review. B·2024· 12 citedOpen Access
Automatic Determination of the Non‐Covalent Stable Conformations of the NO<sub>2</sub>‐Pyrene Cluster in Full Dimensionality (81D) Using the vdW‐TSSCDS Approach
ChemPhysChem·2024· 1 citedOpen Access
Validation of the GreenX library time-frequency component for efficient GW and RPA calculations
arXiv (Cornell University)·2024Open Access
Time-frequency component of the GreenX library: minimaxgrids for efficient RPA and GW calculations
The Journal of Open Source Software·2023· 12 citedOpen Access
Time-frequency component of the GreenX library: minimax grids for efficient RPA and GW calculations
Zenodo (CERN European Organization for Nuclear Research)·2023· 3 citedOpen Access
On the sum-of-products to product-of-sums transformation between analytical low-rank approximations in finite basis representation
The European Physical Journal Special Topics·2023· 1 citedOpen Access
Accelerating Core-Level <i>GW</i> Calculations by Combining the Contour Deformation Approach with the Analytic Continuation of <i>W</i>
Journal of Chemical Theory and Computation·2023· 29 citedOpen Access
Accelerating core-level $GW$ calculations by combining the contour deformation approach with the analytic continuation of $W$
arXiv (Cornell University)·2023Open Access
Analytical high-dimensional operators in canonical polyadic finite basis representation (CP-FBR)
The Journal of Chemical Physics·2023· 9 citedOpen Access
Double Excitation Energies from Quantum Monte Carlo Using State-Specific Energy Optimization
Journal of Chemical Theory and Computation·2022· 19 citedOpen Access
Double excitation energies from quantum Monte Carlo using state-specific energy optimization
arXiv (Cornell University)·2022Open Access
Low-rank sum-of-products finite-basis-representation (SOP-FBR) of potential energy surfaces
The Journal of Chemical Physics·2020· 17 citedOpen Access
Full quantum simulations of the interaction between atmospheric molecules and model soot particles
ZooKeys·2020Open Access
Simulations quantiques de l’interaction entre molécules atmosphériques et particules de suies modèle
2020Open Access
On the automatic computation of global (intermolecular) potential energy surfaces for quantum dynamical simulations
HAL (Le Centre pour la Communication Scientifique Directe)·2020
Specific Reaction Parameter Multigrid POTFIT (SRP-MGPF): Automatic Generation of Sum-of-Products Form Potential Energy Surfaces for Quantum Dynamical Calculations
Frontiers in Chemistry·2019· 8 citedOpen Access
Automatic computation of global intermolecular potential energy surfaces for non-covalently bound systems
HAL (Le Centre pour la Communication Scientifique Directe)·2019
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Frequent Co-authors

Daniel Peláez(9), Dorothea Golze(7), Jan Wilhelm(4), Matteo Giantomassi(4), Francisco A. Delesma(4), Patrick Rinke(4), Xavier Gonze(4), Emilio Martínez‐Núñez(4), Anthony Scemama(3), Claudia Filippi(3), Maryam Azizi(3), Stuart Shepard(2), Saverio Moroni(2), Alexander Buccheri(2), Andris Guļāns(2), Claudia Draxl(2), Nataša Nadoveza(2), Fabien Gatti(2), Maurice Monnerville(2), Sabine Kopec(2)