Crystal Structure Prediction via Oblivious Local Search

27 Mar 2020Dmytro AntypovArgyrios DeligkasVladimir GusevMatthew J. RosseinskyPaul G. SpirakisMichail Theofilatos

We study Crystal Structure Prediction, one of the major problems in computational chemistry. This is essentially a continuous optimization problem, where many different, simple and sophisticated, methods have been proposed and applied... (read more)

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