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cs.LG2018★ 21 cited
CrystalGAN: Learning to Discover Crystallographic Structures with Generative Adversarial Networks
Asma Nouira, Nataliya Sokolovska, Jean-Claude Crivello
Our main motivation is to propose an efficient approach to generate novel multi-element stable chemical compounds that can be used in real world applications. This task can be form…
cond-mat.mtrl-sci2018
Looking for new thermoelectric materials among the TMX intermetallics using high-throughput calculations
Celine Barreteau, Jean-Claude Crivello, Jean-Marc Joubert +1
Within 4 different crystal structures, 2280 ternary intermetallic configurations have been investigated via high-throughput density functional theory calculations in order to disco…