Ilyes Batatia

3PUBLICATIONS
85CO-AUTHORS
Computational chemistryTheoretical quantum chemistrySoftware quality, processes and metrics
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Publications (3)

|Nov 13, 2025
A foundation model for atomistic materials chemistry.

Ilyes Batatia, Philipp Benner, Yuan Chiang

|Sep 27, 2024
Data-efficient fine-tuning of foundational models for first-principles quality sublimation enthalpies.

Harveen Kaur, Flaviano Della Pia, Ilyes Batatia

|Jul 31, 2023
Evaluation of the MACE force field architecture: From medicinal chemistry to materials science.

Dávid Péter Kovács, Ilyes Batatia, Eszter Sára Arany

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