Performance Models for Electronic Structure Methods on Modern Computer Architectures
Electronic structure codes are computationally intensive scientic applications used to probe and elucidate chemical processes at an atomic level. Maximizing the performance of these applications on any given hardware platform is vital in order to facilitate larger and more accurate computations. An important part of this endeavor is the development of protocols for measuring performance, and models to describe that performance as a function of system architecture. This thesis makes...[Show more]
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