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 | 18 | 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 | 13 | 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 |