Publications by authors named "A Michaelides"

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Author Correction: The first-principles phase diagram of monolayer nanoconfined water.
Venkat Kapil, Christoph Schran, Andrea Zen, Ji Chen, Chris J Pickard, Angelos Michaelides

Nature· December 2025

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How accurate are DFT forces? Unexpectedly large uncertainties in molecular datasets.
Domantas Kuryla, Fabian Berger, Gábor Csányi, Angelos Michaelides

J Chem Phys· December 2025

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Towards Routine Condensed Phase Simulations with Delta-Learned Coupled Cluster Accuracy: Application to Liquid Water.
Niamh O'Neill, Benjamin X Shi, William J Baldwin, William C Witt, Gábor Csányi, Angelos Michaelides

J Chem Theory Comput· November 2025

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A foundation model for atomistic materials chemistry.
Ilyes Batatia, Philipp Benner, Yuan Chiang, Alin M Elena, Dávid P Kovács, Angelos Michaelides

J Chem Phys· November 2025

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When Are Dopant -States Free-Atom-Like? Periodic Trends and Confinement Effects in Single-Atom Alloys.
Fabian Berger, Angelos Michaelides

J Am Chem Soc· October 2025

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