A joint diffusion framework for crystal structures and local electronic descriptors improves inverse materials design success rates and structural quality over structure-only models under band-gap and formation-energy conditioning.
Inverse design in search of materials with target functionalities.Nature Reviews Chem- istry, 2(4):0121
1 Pith paper cite this work. Polarity classification is still indexing.
1
Pith paper citing it
fields
cond-mat.mtrl-sci 1years
2026 1verdicts
UNVERDICTED 1representative citing papers
citing papers explorer
-
Inverse Materials Design via Joint Generation of Crystal Structures and Local Electronic Descriptors
A joint diffusion framework for crystal structures and local electronic descriptors improves inverse materials design success rates and structural quality over structure-only models under band-gap and formation-energy conditioning.