2 papers
cond-mat.mtrl-sci2026
Score-based diffusion models for accurate crystal-structure inpainting and reconstruction of hydrogen positions
Timo Reents, Arianna Cantarella, Marnik Bercx +2
Generative AI models, such as score-based diffusion models, have recently advanced the field of computational materials science by enabling the generation of new materials with des…
cond-mat.mes-hall2026
Vibrationally-mediated Dzyaloshinskii-Moriya interaction as the origin of Chirality-Induced Spin Selectivity in donor-acceptor molecules
Alessandro Chiesa, D. K. Andrea Phan Huu, Arianna Cantarella +4
Chirality-induced spin selectivity (CISS) was recently observed in photo-excited donor-chiral bridge-acceptor molecules, but a predictive theory able to explain available experimen…