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physics.chem-ph2025★ 2 cited
Foundation Models for Discovery and Exploration in Chemical Space
Alexius Wadell, Anoushka Bhutani, Victor Azumah +26
Accurate prediction of atomistic, thermodynamic, and kinetic properties from molecular structures underpins materials innovation. Existing computational and experimental approaches…
cond-mat.mtrl-sci2025★ 2 cited
CLOUD: A Scalable and Physics-Informed Foundation Model for Crystal Representation Learning
Changwen Xu, Shang Zhu, Venkatasubramanian Viswanathan
The prediction of crystal properties is essential for understanding structure-property relationships and accelerating the discovery of functional materials. However, conventional a…