Now showing items 1-3 of 3

    • Flexibilities of wavelets as a computational basis set for large-scale electronic structure calculations 

      Ratcliff, Laura E.; Dawson, William; Fisicaro, Giuseppe; Caliste, Damien; Mohr, Stephan; Degomme, Augustin; Videau, Brice; Cristiglio, Viviana; Stella, Martina; D’Alessandro, Marco; Goedecker, Stefan; Nakajima, Takahito; Deutsch, Thierry; Genovese, Luigi (AIP Publishing, 2020)
      Article
      Open Access
      The BigDFT project was started in 2005 with the aim of testing the advantages of using a Daubechies wavelet basis set for Kohn–Sham (KS) density functional theory (DFT) with pseudopotentials. This project led to the creation ...
    • The Mont-Blanc prototype: an alternative approach for high-performance computing systems 

      Rajovic, Nikola; Ramírez Bellido, Alejandro; Rico, Alejandro; Mantovani, Filippo; Ruiz, Daniel; Villarubi, Oriol; Gómez, Constantino; Backes, Luna; Nieto, Diego; Servat, Harald; Martorell Bofill, Xavier; Labarta Mancho, Jesús José; Ayguadé Parra, Eduard; Valero Cortés, Mateo; Adeniyi-Jones, Chris; Derradji, Said; Gloaguen, Hervé; Lanucara, Piero; Sanna, Nico; Mehaut, Jean-François; Pouget, Kevin; Videau, Brice; Boyer, Eric; Allalen, Momme; Auweter, Axel; Brayford, David; Tafani, Daniele; Brömmel, Dirk; Halver, René; Meinke, Jan H.; Beivide Palacio, Ramon; Benito, Mariano; Vallejo, Enrique (2016)
      Research report
      Open Access
      High-performance computing (HPC) is recognized as one of the pillars for further advance of science, industry, medicine, and education. Current HPC systems are being developed to overcome emerging challenges in order to ...
    • The Mont-Blanc prototype: an alternative approach for HPC systems 

      Rajovic, Nikola; Rico, Alejandro; Mantovani, Filippo; Ruiz, Daniel; Vlarrubi, Josep O.; Gomez, Constantino; Backes, Luna; Nieto, Diego; Servat, Harald; Martorell Bofill, Xavier; Labarta Mancho, Jesús José; Ayguadé Parra, Eduard; Adeniyi-Jones, Chris; Derradji, Said; Gloaguen, Hervé; Lanucara, Piero; Sanna, Nico; Mehaut, Jean-François; Pouget, Kevin; Videau, Brice; Boyer, Eric; Allalen, Momme; Auweter, Axel; Brayford, David; Tafani, Daniele; Weinberg, Volker; Brömmel, Dirk; Halver, René; Meinke, Jan H.; Beivide Palacio, Ramon; Benito, Mariano; Vallejo, Enrique; Valero Cortés, Mateo; Ramirez, Alex (Institute of Electrical and Electronics Engineers (IEEE), 2016)
      Conference report
      Open Access
      High-performance computing (HPC) is recognized as one of the pillars for further progress in science, industry, medicine, and education. Current HPC systems are being developed to overcome emerging architectural challenges ...