415 citations · 467 across the 9 of their papers we have counts for
9 papers
Toward Quantum Utility in Correlated Topological Matter: Variational Preparation of Fractional Quantum Hall Manifolds
Sergio F. Expósito, Unai Aseginolaza, Raúl Guerrero-Avilés +3
We investigate the use of variational quantum algorithms to prepare and characterize fractional quantum Hall states on near-term quantum processors. Focusing on the Laughli…
A Useful Metric for the NISQ Era: Qubit Error Probability and Its Role in Zero Noise Extrapolation
Nahual Sobrino, Unai Aseginolaza, Joaquim Jornet-Somoza +1
Accurate assessment and management of errors is indispensable for extracting useful results from noisy intermediate-scale quantum (NISQ) devices. In this work, we propose the qubit…
Regioselective On-Surface Synthesis of [3]Triangulene Graphene Nanoribbons
Michael C. Daugherty, Peter H. Jacobse, Jingwei Jiang +9
The integration of low-energy states into bottom-up engineered graphene nanoribbons (GNRs) is a robust strategy for realizing materials with tailored electronic band structure for…
Optical properties and exciton transfer between N-heterocyclic carbene iridium (III) complexes for blue light-emitting diode applications from first principles
Irina V. Lebedeva, Joaquim Jornet-Somoza
N-heterocyclic carbene (NHC) iridium (III) complexes are considered as promising candidates for blue emitters in organic light-emitting diodes. They can play the roles of the emitt…
Error estimation in current noisy quantum computers
Unai Aseguinolaza, Nahual Sobrino, Gabriel Sobrino +2
One of the main important features of the noisy intermediate-scale quantum (NISQ) era is the correct evaluation and consideration of errors. In this paper, we analyze the main sour…
A basic electro-topological descriptor for the prediction of organic molecule geometries by simple machine learning
Carlos Manuel de Armas-Morejón, Ask Hjorth Larsen, Luis A. Montero-Cabrera +2
This paper proposes a machine learning (ML) method to predict stable molecular geometries from their chemical composition. The method is useful for generating molecular conformatio…
Electronic Descriptors for Supervised Spectroscopic Predictions
Carlos Manuel de Armas-Morejón, Luis A. Montero-Cabrera, Angel Rubio +1
Spectroscopic properties of molecules holds great importance for the description of the molecular response under the effect of an UV/Vis electromagnetic radiation. Computationally…
Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems
Nicolas Tancogne-Dejean, Micael J. T. Oliveira, Xavier Andrade +31
Over the last years extraordinary advances in experimental and theoretical tools have allowed us to monitor and control matter at short time and atomic scales with a high-degree of…
Real-Time Propagation TDDFT and Density Analysis for Exciton Couplings Calculations in Large Systems
Joaquim Jornet-Somoza, Irina Lebedeva
Photo-active systems are characterized by their capacity of absorbing light energy and transforming it. Usually, more than one chromophore is involved in the light absorption and e…