| Excited states of the green fluorescent protein chromophore: Performance of ab initio and semi‐empirical methods M Wanko, P García‐Risueño, A Rubio physica status solidi (b) 249 (2), 392-400, 2012 | 36 | 2012 |
| A survey of the parallel performance and accuracy of Poisson solvers for electronic structure calculations P García‐Risueño, J Alberdi‐Rodriguez, MJT Oliveira, X Andrade, ... Journal of computational chemistry 35 (6), 427-444, 2014 | 32 | 2014 |
| A review of High Performance Computing foundations for scientists P García-Risueño, PE Ibáñez International Journal of Modern Physics C 23 (07), 1230001, 2012 | 23 | 2012 |
| The canonical equilibrium of constrained molecular models P Echenique, CN Cavasotto, P García-Risueño The European Physical Journal-Special Topics 200 (1), 5-54, 2011 | 15 | 2011 |
| Exact and efficient calculation of Lagrange multipliers in biological polymers with constrained bond lengths and bond angles: Proteins and nucleic acids as example cases P García‐Risueño, P Echenique, JL Alonso Journal of computational chemistry 32 (14), 3039-3046, 2011 | 12 | 2011 |
| Implementación e integración en GROMACS de un algoritmo eficiente y preciso para imponer ligaduras en simulaciones de dinámica molecular MAS Gracia, P García-Risueño, JA Benedé Universidad de Zaragoza, 2013 | 8* | 2013 |
| Phonon-Assisted Auger Process Enables Ultrafast Charge Transfer in CdSe Quantum Dot/Organic Molecule Z Wang, M Rafipoor, P Garcia-Risueno, JP Merkl, P Han, H Lange, ... The Journal of Physical Chemistry C, 2019 | 7 | 2019 |
| Linearly scaling direct method for accurately inverting sparse banded matrices P García-Risueño, P Echenique Journal of Physics A: Mathematical and Theoretical 45, 065204, 2012 | 7 | 2012 |
| Frozen-phonon method for state anticrossing situations and its application to zero-point motion effects in diamondoids P García-Risueño, P Han, S Kumar, G Bester Physical Review B 108 (12), 125403, 2023 | 6 | 2023 |
| Recent Memory and Performance Improvements in Octopus Code J Alberdi-Rodriguez, MJT Oliveira, P García-Risueño, F Nogueira, ... Computational Science and Its Applications–ICCSA 2014: 14th International …, 2014 | 6 | 2014 |
| Ideograms for Physics and Chemistry P García-Risueño, A Syropoulos, N Vergés Foundations of Physics 46 (12), 1713-1721, 2016 | 4 | 2016 |
| Accelerating Sparse Arithmetic in the Context of Newton’s Method for Small Molecules with Bond Constraints CCK Mikkelsen, J Alastruey-Benedé, P Ibáñez-Marín, P García-Risueño International Conference on Parallel Processing and Applied Mathematics, 160-171, 2015 | 4 | 2015 |
| An exact expression to calculate the derivatives of position-dependent observables in molecular simulations with flexible constraints P Echenique, CN Cavasotto, M De Marco, P García-Risueño, JL Alonso PLoS one 6 (9), e24563, 2011 | 4 | 2011 |
| Accurate and efficient constrained molecular dynamics of polymers using Newton's method and special purpose code L López-Villellas, CCK Mikkelsen, JJ Galano-Frutos, S Marco-Sola, ... Computer Physics Communications 288, 108742, 2023 | 3 | 2023 |
| Exact and efficient calculation of Lagrange multipliers in constrained biological polymers: Proteins and nucleic acids as example cases P García-Risueño, P Echenique, JL Alonso arXiv preprint arXiv:1103.4425, 2011 | 2 | 2011 |
| How Accurate Does Newton Have to Be? CC Kjelgaard Mikkelsen, L López-Villellas, P García-Risueño Parallel Processing and Applied Mathematics: 14th International Conference …, 2023 | 1 | 2023 |
| Correction: An Exact Expression to Calculate the Derivatives of Position-Dependent Observables in Molecular Simulations with Flexible Constraints. P Echenique, CN Cavasotto, M De Marco, P García-Risueño, JL Alonso PloS one 12 (12), e0189454, 2017 | 1 | 2017 |
| New ideograms for physics P García-Risueño, A Syropoulos, N Vergés Poster presented at the Ψk (Psi-k) 2015 Conference, Danostia–San Sebastián …, 2015 | 1 | 2015 |
| How accurate does Newton have to be? CCK Mikkelsen, L López-Villellas, P García-Risueño arXiv preprint arXiv:2303.17911, 2023 | | 2023 |
| Newton's method revisited: How accurate do we have to be? CC Kjelgaard Mikkelsen, L López‐Villellas, P García‐Risueño Concurrency and Computation: Practice and Experience, e7853, 2023 | | 2023 |
Pablo Echenique-RobbaStaff Scientist, Instituto de Química Física Rocasolano, CSICPotvrđena adresa e-pošte na iqfr.csic.es
