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Ab initio materials design using conformational space annealing and its application to searching for direct band gap silicon crystals

In-Ho Lee, Young-jun Oh, Sunghyun Kim, Jooyoung Lee, K.-J. Chang. Ab initio materials design using conformational space annealing and its application to searching for direct band gap silicon crystals. Computer Physics Communications, 203:110-121, 2016. [doi]

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