Parallelism in Electronic Structure Calculations
نویسنده
چکیده
Electronic structure calculations demonstrate poor scaling behavior for large systems. Expensive correction procedures are often necessary to obtain good results, and many of these methods, such as MP2, scale as poorly as O(N^5). With such large problems, proper exploitation of parallelism is essential to make the computation tractable. Therefore, in this class, I want to obtain a fundamental understanding of the issues involved in efficiently parallelizing intense numerical codes and learn how to exploit emerging parallel technology, especially GPUs.
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