Quantum chemistry applications such as the General Atomic and Molecular Electronic Structure System (GAMESS) that can execute on a complex peta-scale parallel computing environment...
Adaptive mesh refinement (AMR) is a powerful technique that reduces the resources necessary to solve otherwise intractable problems in computational science. The AMR strategy solv...
Michael L. Welcome, Charles A. Rendleman, Leonid O...
Background: The problem of protein structure prediction consists of predicting the functional or native structure of a protein given its linear sequence of amino acids. This probl...
Abstract. Prefetching transfers a data item in advance from its storage location to its usage location so that communication is hidden and does not delay computation. We present a ...
Michael Klemm, Jean Christophe Beyler, Ronny T. La...
—Analytical models have been used to estimate optimal values for parameters such as tile sizes in the context of loop nests. However, important algorithms such as fast Fourier tr...
Basilio B. Fraguela, Yevgen Voronenko, Markus P&uu...