Ioan-Bogdan Magdău

4PUBLICATIONS
84CO-AUTHORS
Semi- and unsupervised learningComputational chemistryBiomolecular modelling and design
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Publications (4)

|Mar 31, 2026
Limitations of Cluster-Trained MLIPs for Liquid Density and Diffusivity.

Viktor Svahn, Ioan-Bogdan Magdău, Samuel P Niblett

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

Ilyes Batatia, Philipp Benner, Yuan Chiang

|Jun 05, 2025
Transferability of Data Sets between Machine-Learned Interatomic Potential Algorithms.

Samuel P Niblett, Panagiotis Kourtis, Ioan-Bogdan Magdău

|May 19, 2025
MACE-OFF: Short-Range Transferable Machine Learning Force Fields for Organic Molecules.

Dávid Péter Kovács, J Harry Moore, Nicholas J Browning

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