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cond-mat.mtrl-sci2024
Transfer Learning in Materials Informatics: structure-property relationships through minimal but highly informative multimodal input
Dario Massa, Grzegorz Kaszuba, Stefanos Papanikolaou +1
In this work we propose simple, effective and computationally efficient transfer learning approaches for structure-property relation predictions in the context of materials, with h…
cond-mat.mtrl-sci2023
Compositional Search of Stable Crystalline Structures in Multi-Component Alloys Using Generative Diffusion Models
Grzegorz Kaszuba, Amirhossein Naghdi Dorabati, Stefanos Papanikolaou +2
Exploring the vast composition space of multi-component alloys presents a challenging task for both \textit{ab initio} (first principles) and experimental methods due to the time-c…