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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…
quant-ph2025
Variational simulation of quantum phase transitions induced by boundary fields
Alan Duriez, Andreia Saguia, Marcelo S. Sarandy
The characterization of quantum phase transitions is a fundamental task for the understanding of quantum phases of matter, with a number of potential applications in quantum techno…
quant-ph2025
Computing band gaps of periodic materials via sample-based quantum diagonalization
Alan Duriez, Pamela C. Carvalho, Marco Antonio Barroca +7
A key objective of computational solid state physics is to predict electronic properties of periodic materials. However, electronic structure simulations based on density functiona…