Programming Paradigms, Tools and Algorithms for Electronic Structure Calculations on Clusters of Non-Uniform Memory Access Parallel Processors. In recent years Australian academia has invested heavily in high performance computing systems. A significant fraction of these resources are devoted to performing computational chemistry studies, such as those used in drug design. This project links Australian researchers with the company responsible for a particularly widely used computational chemistr ....Programming Paradigms, Tools and Algorithms for Electronic Structure Calculations on Clusters of Non-Uniform Memory Access Parallel Processors. In recent years Australian academia has invested heavily in high performance computing systems. A significant fraction of these resources are devoted to performing computational chemistry studies, such as those used in drug design. This project links Australian researchers with the company responsible for a particularly widely used computational chemistry application package, and also with a major international computer company. Our aim is to substantially improve the performance of this code on cluster based compute systems. This, as well as our generic performance evaluation tools, would be of substantial benefit to the Australian research community. The project will forge links with researchers in Singapore, Japan and the USA.Read moreRead less
Programming Paradigms, Tools and Algorithms for the Spectral Solution of the Electronic Schroedinger Equation on Non-Uniform Memory Parallel Processors. We propose to develop software tools and methods that are appropriate for current and future generations of large scale shared memory computer systems. Our purpose is to enable a more productive utilization of these architectures for scientific computation. We will focus on algorithms for solving differential equations appropriate to quantum che ....Programming Paradigms, Tools and Algorithms for the Spectral Solution of the Electronic Schroedinger Equation on Non-Uniform Memory Parallel Processors. We propose to develop software tools and methods that are appropriate for current and future generations of large scale shared memory computer systems. Our purpose is to enable a more productive utilization of these architectures for scientific computation. We will focus on algorithms for solving differential equations appropriate to quantum chemistry. In particular an exciting new class of methods whose computational cost scales linearly with system size. Our goal is to develop scalable parallel implementations of these methods. If realized this will revolutionize computation, enabling first principles calculations on truly nanoscale systems, such as enzymes and molecular electronic devices.Read moreRead less
Advancing Medical Image Analysis through High Performance Heterogeneous Computing, Numerical Simulation, and Novel Human Computer Interfaces. This project will link Australian researchers with a major multi-national IT company. The engagement of world-class personnel from Microsoft will provide unprecedented opportunities for graduate students to experience research in both an academic and an industrial setting. The participation of Microsoft product division offers the potential to transform th ....Advancing Medical Image Analysis through High Performance Heterogeneous Computing, Numerical Simulation, and Novel Human Computer Interfaces. This project will link Australian researchers with a major multi-national IT company. The engagement of world-class personnel from Microsoft will provide unprecedented opportunities for graduate students to experience research in both an academic and an industrial setting. The participation of Microsoft product division offers the potential to transform the outcomes of this project into widely-used software solutions. The project will pave the way for more widespread and reliable evidenced-based computer-aided diagnosis and image-guided treatment. It will produce well-trained and sought-after graduates and research associates with extensive inter-disciplinary knowledge of medical image analysis and high-performance computing.Read moreRead less