the energy minima of systems made of an alanine molecule, a lithium cation and a various number of watermolecules have been determined with the help of quantum mechanical computations at the b3lyp densityfunctional theory level of computation and the standard 6-311++g (d,p) basis set. several structures, close inenergy are found and the presence of one or two water molecules around the cation m...

In this work are studied the Jacobians of certain singular transformations and the corresponding measures which support the jacobian computations.

This thesis presents novel parallel algorithms to leverage the power of GPUs (Graphics Processing Units) for exact computations with polynomials having large integer coefficients. The significance of such computations, especially in real algebraic geometry, is hard to undermine. On massively-parallel architectures such as GPU, the degree of datalevel parallelism exposed by an algorithm is the m...

Submitted for the DFD11 Meeting of The American Physical Society A coarse-grid projection method for accelerating incompressible flow computations OMER SAN, ANNE STAPLES, Virginia Tech — We present a coarse-grid projection (CGP) algorithm for accelerating incompressible flow computations, which is applicable to methods involving Poisson equations as incompressibility constraints. CGP methodolog...