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cond-mat.str-el2023
Probing the Mott-insulating behavior of BaMgReO with DFT+DMFT
Maximilian E. Merkel, Aria Mansouri Tehrani, Claude Ederer
We investigate the interplay of spin-orbit coupling, electronic correlations, and lattice distortions in the double perovskite BaMgReO. Combining density-functional…
cs.LG2023
Artificial Intelligence for Science in Quantum, Atomistic, and Continuum Systems
Xuan Zhang, Limei Wang, Jacob Helwig +60
Advances in artificial intelligence (AI) are fueling a new paradigm of discoveries in natural sciences. Today, AI has started to advance natural sciences by improving, accelerating…