output
20142025
most citedAza-Triangulene: On-Surface Synthesis, Electronic and Magnetic Properties

144 citations

52 papers

cond-mat.mtrl-sci2025★ 1 cited

Boosting the Memory Window of Memristive Stacks via Engineered Interfaces with High Ionic Mobility

José Diogo Costa, Daniel Veira-Canle, Noa Varela-Domínguez +8

Realizing the potential of oxide-based memristive devices for high-density data storage and energy-efficient computing still relies on overcoming key technical challenges, includin…

cond-mat.mtrl-sci2025

van der Waals epitaxy of lead monoxide - PbO and application as a virtual substrate for oxide membranes

Marcel S. Claro, Francisco Rivadulla

We report the successful growth of epitaxial layers of van der Waals (vdW) lead oxide (PbO) polymorphs on different substrates, via pulsed laser deposition. A thin layer of vdW …

astro-ph.GA2025★ 32 cited

Discovery of interstellar phenalene (-CH): A new piece for the chemical puzzle of PAHs in space

Carlos Cabezas, Marcelino Agúndez, Cristóbal Pérez +10

We present the discovery of the unsubstituted polycyclic aromatic hydrocarbon (PAH) phenalene (-CH) in TMC-1 as part of the QUIJOTE line survey. In spite of the lo…

eess.IV2025

AGE-US: automated gestational age estimation based on fetal ultrasound images

César Díaz-Parga, Marta Nuñez-Garcia, Maria J. Carreira +2

Being born small carries significant health risks, including increased neonatal mortality and a higher likelihood of future cardiac diseases. Accurate estimation of gestational age…

cond-mat.mes-hall2025★ 4 cited

Spin and Charge Control of Topological End States in Chiral Graphene Nanoribbons on a 2D Ferromagnet

Leonard Edens, Francisco Romero Lara, Trisha Sai +5

Tailor-made graphene nanostructures can exhibit symmetry-protected topological boundary states that host localized spin- moments. However, one frequently observes charge trans…

cond-mat.mes-hall2025★ 14 cited

On-surface Synthesis of a Ferromagnetic Molecular Spin Trimer

Alessio Vegliante, Manuel Vilas-Varela, Ricardo Ortiz +12

Triangulenes are prototypical examples of open-shell nanographenes. Their magnetic properties, arising from the presence of unpaired electrons, can be extensively tuned by modi…

cond-mat.mes-hall2025★ 3 cited

Synthesis and characterization of a -extended Clar's goblet

Shantanu Mishra, Manuel Vilas-Varela, Igor Rončević +4

Concealed non-Kekulé polybenzenoid hydrocarbons have no sublattice imbalance yet cannot be assigned a classical Kekulé structure, leading to an open-shell ground state with potenti…

cs.AI2025★ 1 cited

DeclareAligner: A Leap Towards Efficient Optimal Alignments for Declarative Process Model Conformance Checking

Jacobo Casas-Ramos, Manuel Lama, Manuel Mucientes

In many engineering applications, processes must be followed precisely, making conformance checking between event logs and declarative process models crucial for ensuring adherence…

cond-mat.mtrl-sci2025★ 2 cited

Correlation between structural and magnetic properties of epitaxial YIG films by pulsed laser deposition

José Diogo Costa, N. Claessens, Giacomo Talmelli +6

In this study, we investigate the relationships between film growth conditions, crystalline microstructure, and magnetic properties of epitaxial Yttrium Iron Garnet (YFeO$_…

astro-ph.GA2024★ 84 cited

Discovery of two cyano derivatives of acenaphthylene (CH) in TMC-1 with the QUIJOTE line survey

J. Cernicharo, C. Cabezas, R. Fuentetaja +12

We report the discovery in TMC-1 of two cyano derivatives of the PAH acenaphthylene (CH). We have found two series of lines with the QUIJOTE line survey that we assign t…

cs.HC2024★ 5 cited

Measuring the limit of perception of bond stiffness of interactive molecules in VR via a gamified psychophysics experiment

Rhoslyn Roebuck Williams, Jonathan Barnoud, Luis Toledo +2

Molecular dynamics (MD) simulations provide crucial insight into molecular interactions and biomolecular function. With interactive MD simulations in VR (iMD-VR), chemists can now…

cs.LG2024★ 1 cited

AI-Guided Molecular Simulations in VR: Exploring Strategies for Imitation Learning in Hyperdimensional Molecular Systems

Mohamed Dhouioui, Jonathan Barnoud, Rhoslyn Roebuck Williams +3

Molecular dynamics (MD) simulations are a crucial computational tool for researchers to understand and engineer molecular structure and function in areas such as drug discovery, pr…

cs.IR2024★ 31 cited

Evaluating Search Engines and Large Language Models for Answering Health Questions

Marcos Fernández-Pichel, Juan C. Pichel, David E. Losada

Search engines (SEs) have traditionally been primary tools for information seeking, but the new Large Language Models (LLMs) are emerging as powerful alternatives, particularly for…

cond-mat.mes-hall2024★ 6 cited

Systematic Modulation of Charge and Spin in Graphene Nanoribbons on MgO

Amelia Domínguez-Celorrio, Leonard Edens, Sofía Sanz +7

Graphene nanostructures can be engineered with atomic precision to display customized electronic states with application in spintronics or quantum technologies. In order to take ad…

quant-ph2024★ 103 cited

Review of Distributed Quantum Computing. From single QPU to High Performance Quantum Computing

David Barral, F. Javier Cardama, Guillermo Díaz +10

The emerging field of quantum computing has shown it might change how we process information by using the unique principles of quantum mechanics. As researchers continue to push th…

cond-mat.mes-hall2024★ 8 cited

Tunable Current Rectification Through a Designer Graphene Nanoribbon

Niklas Friedrich, Jingcheng Li, Iago Pozo +2

Unimolecular current rectifiers are fundamental building blocks in organic electronics. Rectifying behavior has been identified in numerous organic systems due to electron-hole asy…

cond-mat.mes-hall2024★ 21 cited

Tuning the Spin Interaction in Non-planar Organic Diradicals Through Mechanical Manipulation

Alessio Vegliante, Saleta Fernandez, Ricardo Ortiz +12

Open-shell polycyclic aromatic hydrocarbons (PAHs) represent promising building blocks for carbon-based functional magnetic materials. Their magnetic properties stem from the prese…

cs.CL2023★ 4 cited

Contextualized word senses: from attention to compositionality

Pablo Gamallo

The neural architectures of language models are becoming increasingly complex, especially that of Transformers, based on the attention mechanism. Although their application to nume…

physics.chem-ph2023★ 14 cited

Free energy along drug-protein binding pathways interactively sampled in virtual reality

Helen M. Deeks, Kirill Zinovjev, Jonathan Barnoud +3

We describe a two-step approach for combining interactive molecular dynamics in virtual reality (iMD-VR) with free energy (FE) calculation to explore the dynamics of biological pro…

cond-mat.mtrl-sci2023★ 3 cited

Annealing effects on the magnetic and magnetotransport properties of iron oxide nanoparticles self-assemblies

Fernando Fabris, Enio Lima, Jorge Martín Nuñez +5

In magnetic tunnel junctions based on iron oxide nanoparticles the disorder and the oxidation state of the surface spin as well as the nanoparticles functionalization play a crucia…

cond-mat.mes-hall2023★ 37 cited

On-Surface Synthesis and Characterization of a High-Spin Aza-[5]-Triangulene

Manuel Vilas-Varela, Francisco Romero-Lara, Alessio Vegliante +13

Triangulenes are open-shell triangular graphene flakes with total spin increasing with their size. In the last years, on-surface-synthesis strategies have permitted fabricating and…

cs.CL2023★ 6 cited

Process-To-Text: A Framework for the Quantitative Description of Processes in Natural Language

Yago Fontenla-Seco, Alberto Bugarín-Diz, Manuel Lama

In this paper we present the Process-To-Text (P2T) framework for the automatic generation of textual descriptive explanations of processes. P2T integrates three AI paradigms: proce…

cond-mat.mes-hall2023★ 47 cited

Bistability between -diradical open-shell and closed-shell states in indeno[1,2-a]fluorene

Shantanu Mishra, Manuel Vilas-Varela, Leonard-Alexander Lieske +7

Indenofluorenes are non-benzenoid conjugated hydrocarbons that have received great interest owing to their unusual electronic structure and potential applications in non-linear opt…

cs.CV2023★ 37 cited

Depth Estimation and Image Restoration by Deep Learning from Defocused Images

Saqib Nazir, Lorenzo Vaquero, Manuel Mucientes +2

Monocular depth estimation and image deblurring are two fundamental tasks in computer vision, given their crucial role in understanding 3D scenes. Performing any of them by relying…