17 citations · 73 across the 12 of their papers we have counts for
12 papers
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…
Automated structure discovery for Tip Enhanced Raman Spectroscopy
Harshit Sethi, Markus Junttila, Orlando J Silveira +1
Tip-Enhanced Raman Spectroscopy (TERS) provides nanoscale chemical fingerprints alongside high-resolution topographic mapping of molecules, offering a powerful tool for materials d…
Improving atomic force microscopy structure discovery via style-translation
Jie Huang, Niko Oinonen, Fabio Priante +4
Atomic force microscopy (AFM) is a key tool for characterising nanoscale structures, with functionalised tips now offering detailed images of the atomic structure. In parallel, AFM…
Direct imaging of carbohydrate stereochemistry
Shuning Cai, Joakim S. Jestilä, Peter Liljeroth +1
Carbohydrates, essential biological building blocks, exhibit functional mechanisms tied to their intricate stereochemistry. Subtle stereochemical differences, such as those between…
Precise large-scale chemical transformations on surfaces: deep learning meets scanning probe microscopy with interpretability
Nian Wu, Markus Aapro, Joakim S. Jestilä +9
Scanning Probe Microscopy (SPM) techniques have shown great potential in fabricating nanoscale structures endowed with exotic quantum properties achieved through various manipulati…
Heisenberg Spin-1/2 Antiferromagnetic Molecular Chains
Kewei Sun, Nan Cao, Orlando J. Silveira +7
Carbon-based nanostructures possessing π-electron magnetism have attracted tremendous interest due to their great potential for nano spintronics. In particular, quantum chains with…
On-Surface Synthesis of Silole and Disilacyclooctaene Derivatives
Kewei Sun, Lauri Kurki, Orlando J. Silveira +5
Sila-cyclic rings are a class of organosilicon cyclic compounds and have abundant application in organic chemistry and materials science. However, it is still challenging to synthe…
Automated Structure Discovery for Scanning Tunneling Microscopy
Lauri Kurki, Niko Oinonen, Adam S. Foster
Scanning tunnelling microscopy (STM) with a functionalized tip apex reveals the geometric and electronic structure of a sample within the same experiment. However, the complex natu…
Accelerated lignocellulosic molecule adsorption structure determination
Joakim S. Jestilä, Nian Wu, Fabio Priante +1
Here, we present a study combining Bayesian optimisation structural inference with the machine learning interatomic potential NequIP to accelerate and enable the study of the adsor…
Structure discovery in Atomic Force Microscopy imaging of ice
F. Priante, N. Oinonen, Y. Tian +6
The interaction of water with surfaces is crucially important in a wide range of natural and technological settings. In particular, at low temperatures, unveiling the atomistic str…
Emergence of Exotic Spin Texture in Supramolecular Metal Complexes on a 2D Superconductor
Viliam Vaňo, Stefano Reale, Orlando J. Silveira +11
Designer heterostructures, where the desired physics emerges from the controlled interactions between different components, represent one of the most powerful strategies to realize…
Local Probe Structure Isomerization in a One-Dimensional Molecular Array
Shigeki Kawai, Orlando J. Silveira, Lauri Kurki +8
Synthesis of one-dimensional molecular arrays with tailored stereoisomers is challenging yet has a great potential for application in molecular opto-, electronic- and magnetic-devi…