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Efficient calculation of carrier scattering rates from first principles
Alex M. Ganose, Junsoo Park, Alireza Faghaninia, Rachel Woods-Robinson, Kristin A. Persson, Anubhav Jain
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Article Pages: 1 Open access contents
Direct insight into the structure-property relation of interfaces from constrained crystal structure prediction
Lin Sun, Miguel A. L. Marques, Silvana Botti
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Article Pages: 1 Open access contents
Quantum-mechanical exploration of the phase diagram of water
Aleks Reinhardt, Bingqing Cheng
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Article Pages: 1 Open access contents
A fourth-generation high-dimensional neural network potential with accurate electrostatics including non-local charge transfer
Tsz Wai Ko, Jonas A. Finkler, Stefan Goedecker, Jörg Behler
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Article Pages: 1 Open access contents
Mechanisms for <100> interstitial dislocation loops to diffuse in BCC iron
N. Gao, Z. W. Yao, G. H. Lu, H. Q. Deng, F. Gao
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Article Pages: 1 Open access contents