Items where Author is "Quintana-Ortí, Enrique S."

Article

Alonso-Jordá, Pedro; Davidović, Davor; Sapunar, Marin; Herrero, José R.; Quintana-Ortí, Enrique S. (2021) Efficient update of determinants for many-electron wave function overlaps. Computer physics communications, 258 . ISSN 0010-4655

Aliaga, José I.; Alonso, Pedro; Badía, José M.; Chacón, Pablo; Davidović, Davor; López-Blanco, José R.; Quintana-Ortí, Enrique S. (2016) Fast band-Krylov eigensolver for macromolecular functional motion simulation on multicore architectures and graphics processors. Journal of computational physics, 309 . pp. 314-323. ISSN 0021-9991

Aliaga, José Ignacio; Badia, Jose M.; Castillo, Maribel; Davidović, Davor; Mayo, Rafael; Quintana-Ortí, Enrique S. (2015) Out-of-core macromolecular simulations on multithreaded architectures. Concurrency and Computation: Practice and Experience, 27 (6). pp. 1540-1550. ISSN 1532-0626

Aliaga, José Ignacio; Bientinesi, Paolo; Davidović, Davor; Di Napoli, Eduardo; Igual Peña, Francisco D.; Quintana-Ortí, Enrique S. (2012) Solving Dense Generalized Eigenproblems on Multi-threaded Architectures. Applied Mathematics and Computation, 218 (22). pp. 11279-11289. ISSN 0096-3003

Conference or workshop item published in conference proceedings

Davidović, Davor; Quintana-Ortí, Enrique S. (2020) Structure-Aware Calculation of Many-Electron Wave Function Overlaps on Multicore Processors. In: Wyrzykowski, Roman; Deelman, Eva; Dongarra, Jack; Karczewski, Konrad, (eds.) LNCS 12043: Parallel Processing and Applied Mathematics. pp. 13-24 .

Aliaga, José; Davidović, Davor; Pérez, Joaquín; Quintana-Ortí, Enrique S. (2016) Harnessing CUDA dynamic parallelism for the solution of sparse linear systems. In: Joubert, Gerhard; Leather, Hugh; Peters, Frans; Parsons, Mark; Sawyer, Mark, (eds.) Parallel computing : on the road to exascale. pp. 217-226 .

Aliaga, José Ignacio; Davidović, Davor; Quintana-Ortí, Enrique S. (2014) Out-of-core solution of eigenproblems for macromolecular simulations. In: Wyrzykowski, Roman; Dongarra, Jack; Karczewski, Konrad; Waśniewski, Jerzy, (eds.) Parallel Processing and Applied Mathematics. pp. 490-499 .

Davidović, Davor; Quintana-Ortí, Enrique S. (2012) Applying OOC Techniques in the Reduction to Condensed Form for Very Large Symmetric Eigenproblems on GPUs. In: Stotzka, Rainer; Schiffers, Michael; Cotronis, Yiannis, (eds.) Proceedings of the 20th Euromicro International Conference on Parallel, Distributed and Network-based Processing. LosAlamitos, California; Washington; Tokyo, IEEE Computer Society, pp. 442-449 .