Events – BigDFT https://l_sim.gitlab.io/bigdft-doc A fast, precise and flexible DFT code for ab-initio atomistic simulation Fri, 20 Nov 2020 09:34:26 +0000 en-US hourly 1 https://wordpress.org/?v=5.5.6 BigDFT webinar in the MaX Centre Webinar of Flagship Codes series https://l_sim.gitlab.io/bigdft-doc/news/bigdft-webinar-in-the-max-centre-webinar-of-flagship-codes-series/ https://l_sim.gitlab.io/bigdft-doc/news/bigdft-webinar-in-the-max-centre-webinar-of-flagship-codes-series/#respond Thu, 12 Nov 2020 08:08:17 +0000 https://l_sim.gitlab.io/bigdft-doc/?p=188 In this webinar, titled “Flexibilities of Wavelets for Electronic Structure Calculations in Large Systems", we will present some of the features that have been made possible by the peculiar properties of Daubechies wavelets. In particular, we focus our attention on the usage of DFT for large-scale systems. We show how the localized description of [...]

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In this webinar, titled “Flexibilities of Wavelets for Electronic Structure Calculations in Large Systems”, we will present some of the features that have been made possible by the peculiar properties of Daubechies wavelets. In particular, we focus our attention on the usage of DFT for large-scale systems. We show how the localized description of the KS problem, emerging from the features of the basis set, is helpful in providing a simplified description of large-scale electronic structure calculations. During the presentation, we will highlight how the MaX consortium enabled the possibility of the implementation of advanced functionalities in the contest of pre-exascale computing. Join our webinar on 12th November, 10am (CET).

See here the webinar video: http://www.max-centre.eu/webinar/flexibilities-wavelets-electronic-structure-calculations-large-systems

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