230 citations · 343 across the 7 of their papers we have counts for
7 papers
Noise and Configuration Recovery Impact on Quantum Selected Configuration Interaction
Nonia Vaquero-Sabater, Abel Carreras, Lukas Broers +3
Quantum-selected configuration interaction (QSCI) is a promising hybrid quantum-classical approach in which a quantum device generates configurations for subsequent classical diago…
Limitations of Quantum Hardware for Molecular Energy Estimation Using VQE
Abel Carreras, David Casanova, Román Orús
Variational quantum eigensolvers (VQEs) are among the most promising quantum algorithms for solving electronic structure problems in quantum chemistry, particularly during the Nois…
Pruned-ADAPT-VQE: compacting molecular ansätze by removing irrelevant operators
Nonia Vaquero-Sabater, Abel Carreras, David Casanova
The adaptive derivative-assembled problem-tailored variational quantum eigensolver (ADAPT-VQE) is one of the most widely used algorithms for electronic structure calculations in qu…
Physically motivated improvements of Variational Quantum Eigensolvers
Nonia Vaquero-Sabater, Abel Carreras, Román Orús +2
The Adaptive Derivative-Assembled Pseudo-Trotter Variational Quantum Eigensolver (ADAPT-VQE) has emerged as a pivotal promising approach for electronic structure challenges in quan…
DynaPhoPy: A code for extracting phonon quasiparticles from molecular dynamics simulations
Abel Carreras, Atsushi Togo, Isao Tanaka
We have developed a computational code, DynaPhoPy, that allow us to extract the microscopic anharmonic phonon properties from molecular dynamics (MD) simulations using the normal-m…
Temperature-dependent phonon spectra of magnetic random solid solutions
Yuji Ikeda, Fritz Körmann, Biswanath Dutta +4
A first-principles-based method for computing phonons of magnetic random solid solutions including thermal magnetic fluctuations is developed. The method takes fluctuations of forc…
Mode-decomposition based on crystallographic symmetry in the band-unfolding method
Yuji Ikeda, Abel Carreras, Atsuto Seko +2
The band-unfolding method is widely used to calculate the effective band structures of a disordered system from its supercell model. The unfolded band structures show the crystallo…