11 citations · 32 across the 10 of their papers we have counts for
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cond-mat.mtrl-sci2024★ 2 cited
Generative Inverse Design of Crystal Structures via Diffusion Models with Transformers
Izumi Takahara, Kiyou Shibata, Teruyasu Mizoguchi
Recent advances in deep learning have enabled the generation of realistic data by training generative models on large datasets of text, images, and audio. While these models have d…
cond-mat.mtrl-sci2024★ 11 cited
Crystal orbital overlap population based on all-electron ab initio simulation with numeric atom-centered orbitals and its application to chemical-bonding analysis in Li-intercalated layered materials
Izumi Takahara, Kiyou Shibata, Teruyasu Mizoguchi
Crystal Orbital Overlap Population (COOP) is one of the effective tools for chemical-bonding analysis, and thus it has been utilized in the materials development and characterizati…