Accelerating direct quantum dynamics using graphical processing units
نویسندگان
چکیده
منابع مشابه
Accelerating Correlated Quantum Chemistry Calculations Using Graphical Processing Units and a Mixed Precision Matrix Multiplication Library.
Two new tools for the acceleration of computational chemistry codes using graphical processing units (GPUs) are presented. First, we propose a general black-box approach for the efficient GPU acceleration of matrix-matrix multiplications where the matrix size is too large for the whole computation to be held in the GPU's onboard memory. Second, we show how to improve the accuracy of matrix mult...
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ژورنال
عنوان ژورنال: Physical Chemistry Chemical Physics
سال: 2017
ISSN: 1463-9076,1463-9084
DOI: 10.1039/c7cp01473b