3 papers
quant-ph2026
ViBra: Configuration Interaction for Anharmonic Vibrational Spectroscopy and Quantum-Sampled Configuration Spaces
Raphael F. Ligorio, Marco Antonio Barroca, Alan Duriez +1
Quantum-centric workflows are a promising route to improving the accuracy of property predictions in computational chemistry and materials science. By integrating quantum sampling…
cs.LG2025
Classification of Transient Astronomical Object Light Curves Using LSTM Neural Networks
Guilherme Grancho D. Fernandes, Marco A. Barroca, Mateus dos Santos +1
This study presents a bidirectional Long Short-Term Memory (LSTM) neural network for classifying transient astronomical object light curves from the Photometric LSST Astronomical T…
cond-mat.mtrl-sci2025
TBHubbard: tight-binding and extended Hubbard model database for metal-organic frameworks
Pamela C. Carvalho, Federico Zipoli, Alan C. Duriez +5
Metal-organic frameworks (MOFs) are porous materials composed of metal ions and organic linkers. Due to their chemical diversity, MOFs can support a broad range of applications in…