most citedMAD-SURF: a machine learning interatomic potential for molecular adsorption on coinage metal surfaces

1 citations · 1 across the 4 of their papers we have counts for

collaborators

5 papers

cond-mat.mtrl-sci2026

Reconstruction-Dependent Imaging, Reactivity and Local Reduction of the CeO(100) surface

Kyungmin Kim, Manuel González Lastre, Manuel González Lastre +10

The possibility of mapping the local reactivity and reduction state to the atomic structure of chemically active oxide surfaces opens new avenues for further understanding of catal…

cond-mat.mtrl-sci2026

Mapping the Growth of Two-Dimensional -Conjugated Polymers on Au(111): Organometallic Intermediates and Edge Terminations

Simon W. Briesenick, Wyatt A. Behn, Manuel González Lastre +6

Kagome lattices provide an exciting space for the exploration of graphene-like -conjugated molecular systems with flat bands. Using heterotriangulene-derived precursors, along…

cs.LG2026

De novo molecular generation with optical property preconditioning at the token level

Haozhe Huang, Manuel Gonzalez Lastre, Hyun Suk Park +3

Designing OLED molecules with targeted optical properties remains challenging due to the scarcity of high-quality data and the limited reliability of conditional control in generat…

cond-mat.mtrl-sci20261 cited

MAD-SURF: a machine learning interatomic potential for molecular adsorption on coinage metal surfaces

Manuel González Lastre, Joakim S. Jestilä, Rubén Pérez +1

Predicting how organic molecules adsorb, assemble, and interact on metal surfaces is central to surface chemistry and molecular electronics, particularly in the context of interpre…

cond-mat.mtrl-sci2025

Near-surface Defects Break Symmetry in Water Adsorption on CeO(111)

Oscar Custance, Manuel González Lastre, Kyungmin Kim +7

Water interactions with oxygen-deficient cerium dioxide (CeO) surfaces are central to hydrogen production and catalytic redox reactions, but the atomic-scale details of how def…