…there is a very simple solution to this this problem: Take one of the most powerful computers in the world and let it do all calculations for you. In the twinkling of an eye, it can perform more arithmetic operations …

When a mathematician is not good at mental arithmetic,… Read More »

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Project reference: 2014 The deMon2k (density of Montréal) [1] is a software package for density functional theory (DFT) calculations. It uses the linear combination of Gaussian-type orbital (LCGTO) approach for the self-consistent solution of the Kohn-Sham (KS) DFT equations.  RT-TDDFT …

Matrix exponentiation on GPU for the deMon2k code Read More »

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