First-Principles Crystal Structure Prediction of Cu(I)-TCNQ Polymorphs
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DOI: 10.1021/acs.jpcc.9b09007
Abstract: There is a lack of consensus on the crystal structure and polymorphism of Cu(I)-TCNQ, even though an enormous work and great achievements have been reported along decades. This motivated us to perform a crystal structure… read more here.
Keywords: crystal structure; local minimum; structure prediction; structure ... See more keywords
Self-Adaptive Gate Control for Efficient Escape From Local Minimum Energy on Invertible Logic
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DOI: 10.1109/access.2023.3272867
Abstract: Invertible logic can realize bidirectional operations of a function represented by a Hamiltonian (energy) with noise and can be applied for integer factorization and training neural networks. However, the computation error is not negligible due… read more here.
Keywords: local minimum; minimum energy; energy; adaptive gate ... See more keywords