Xavier R. Advincula

A foundation model for atomistic materials chemistry

Philipp Benner, Yuan Chiang, Alin M. Elena et al. · arXiv (Cornell University) · 2023 · 246 citations · Full text

Natural Sciences, Chemistry, Physics +17

A foundation model for atomistic materials chemistry

Ilyes Batatia, Philipp Benner, Yuan Chiang et al. · The Journal of Chemical Physics · 2025 · 187 citations · Full text

Natural Sciences, Chemistry, Physics +17

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

Harveen Kaur, Flaviano Della Pia, Ilyes Batatia et al. · Faraday Discussions · 2024 · 48 citations · Full text

Natural Sciences, Chemistry, Materials Science +9

Machine Learning Nucleation Collective Variables with Graph Neural Networks

Florian M. Dietrich, Xavier R. Advincula, Gianpaolo Gobbo et al. · Journal of Chemical Theory and Computation · 2023 · 32 citations · Full text

Natural Sciences, Materials Science, Physics +15

Protons Accumulate at the Graphene–Water Interface

Xavier R. Advincula, Kara D. Fong, Angelos Michaelides et al. · ACS Nano · 2025 · 26 citations · Full text

Natural Sciences, Chemistry, Physics +17