collaborators

1 paper

cond-mat.mtrl-sci2024

Data-efficient fine-tuning of foundational models for first-principles quality sublimation enthalpies

Harveen Kaur, Flaviano Della Pia, Ilyes Batatia +6

Calculating sublimation enthalpies of molecular crystal polymorphs is relevant to a wide range of technological applications. However, predicting these quantities at first-principl…