Now showing items 1-2 of 2
Optimizing computational kernels in quantum chemistry
(Georgia Institute of Technology, 2018-05-01)
Density fitting is a rank reduction technique popularly used in quantum chemistry in order to reduce the computational cost of evaluating, transforming, and processing the 4-center electron repulsion integrals (ERIs). ...
High performance computing algorithms for discrete optimization
(Georgia Institute of Technology, 2017-11-03)
This thesis concerns the application of High Performance Computing to Discrete Optimization, and the development of massively parallel algorithms designed to accelerate the solving process of Mixed-Integer Programs (MIPs). ...