AC
Abel Carreras
quant-phcond-mat.mtrl-sciphysics.chem-phAlgorithmscontinuous symmetry measuresmolecular shapeQuantum Theorystructure-property relationshipssymmetrythermal motion
On Valency
published · living versionsW_5wy9ae7k·v1 · currentpublished
Spin SYK-dot chains: entanglement bound and resource estimates towards a quantum advantage
with Sayantan Dey, Siddhartha Patra
1 version
Preprints & journals
27 papers in the corpus · 2010–2026Anharmonic Effects Revealed by Temperature-Dependent Phonon Lifetimes and Thermal Conductivities in a π-Conjugated Molecular Crystal.42186326 · Santamaría, Guillermo, Siddi, Francesco, Carreras, Abel et al.2026 · 0 citationsJournal of chemical theory and computation. 2026;22(11):5742-5751
Noise and Configuration Recovery Impact on Quantum Selected Configuration Interaction2605.23697v1 · Nonia Vaquero-Sabater, Abel Carreras, Lukas Broers et al.2026 · 1 citationarXiv
Limitations of quantum hardware for molecular energy estimation using VQE.41527830 · Carreras, Abel, Orús, Román, Casanova, David2026 · 5 citationsPhysical chemistry chemical physics : PCCP. 2026;28(4):2834-2846
Pruned-ADAPT-VQE: Compacting Molecular Ansätze by Removing Irrelevant Operators.40913560 · Vaquero-Sabater, Nonia, Carreras, Abel, Casanova, David2026 · 9 citationsJournal of chemical theory and computation. 2025;21(18):8720-8728
Pruned-ADAPT-VQE: compacting molecular ansätze by removing irrelevant operators2504.04652v2 · Nonia Vaquero-Sabater, Abel Carreras, David Casanova2025 · 0 citationsarXiv
Using an aromatic linker to optimize charge-resonance states, photodimerization and reversibility in covalent anthracene dimers.39992356 · Lam, Kevin, Dillon, Robert J, Carreras, Abel et al.2025 · 7 citationsPhysical chemistry chemical physics : PCCP. 2025;27(10):5305-5316
Folded-twisted mechanisms control dynamic redox properties, photophysics and electron transfer of anthanthrene-quinodimethanes.39722788 · Cárdenas Valdivia, Abel, Lirette, Frédéric, Marín-Beloqui, José M et al.2025 · 0 citationsChemical science. 2025;16(4):1925-1931
Physically Motivated Improvements of Variational Quantum Eigensolvers.38853416 · Vaquero-Sabater, Nonia, Carreras, Abel, Orús, Román et al.2024 · 12 citationsJournal of chemical theory and computation. 2024;20(12):5133-5144
Small-Occupation Density Functional Correlation Energy Correction to Wave Function Approximations.38227943 · Rodríguez-Jiménez, José Aarón, Carreras, Abel, Casanova, David2024 · 1 citationJournal of chemical theory and computation. 2024;20(3):1118-1129
Small-occupation density functional correlation energy correction to wavefunction approximations10.26434/chemrxiv-2023-m5dgh · José Aarón Rodríguez-Jiménez, Abel Carreras, David Casanova2023 · 1 citationChemRxiv
Spin-Orbit Couplings of Open-Shell Systems with Restricted Active Space Configuration Interaction.36719861 · Rodríguez-Jiménez, José Aarón, Carreras, Abel, Casanova, David2023 · 2 citationsThe journal of physical chemistry. A. 2023;127(5):1206-1218
Simple evaluation of dynamic disorder effects on exciton transport.35105100 · Carreras, Abel, Casanova, David2022 · 1 citationThe Journal of chemical physics. 2022;156(4):044112
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package.34470363 · Epifanovsky, Evgeny, Gilbert, Andrew T B, Feng, Xintian et al.2026 · 1,327 citationsThe Journal of chemical physics. 2021;155(8):084801
Short-range DFT energy correction to multiconfigurational wave functions for open-shell systems.33810663 · Rodríguez-Jiménez, José Aarón, Carreras, Abel, Casanova, David2021 · 10 citationsThe Journal of chemical physics. 2021;154(12):124116
Calculation of spin-orbit couplings using RASCI spinless one-particle density matrices: Theory and applications.33291917 · Carreras, Abel, Jiang, Hanjie, Pokhilko, Pavel et al.2020 · 35 citationsThe Journal of chemical physics. 2020;153(21):214107
Conformational analysis of enantiomerization coupled to internal rotation in triptycyl-n-helicenes.31111125 · Carreras, Abel, Fuligni, Luca, Alemany, Pere et al.2019 · 1 citationPhysical chemistry chemical physics : PCCP. 2019;21(21):11395-11404
Singlet fission in spiroconjugated dimers.31153213 · Sandoval-Salinas, María E, Carreras, Abel, Casado, Juan et al.2019 · 27 citationsThe Journal of chemical physics. 2019;150(20):204306
Triangular graphene nanofragments: open-shell character and doping.30864582 · Sandoval-Salinas, María E, Carreras, Abel, Casanova, David2019 · 52 citationsPhysical chemistry chemical physics : PCCP. 2019;21(18):9069-9076
Charge Delocalization, Oxidation States, and Silver Mobility in the Mixed Silver-Copper Oxide AgCuO2 ¤.31046261 · Carreras, Abel, Conejeros, Sergio, Camón, Agustín et al.2019 · 9 citationsInorganic chemistry. 2019;58(10):7026-7035
Photophysics of Molecular Aggregates from Excited State Diabatization.30844271 · Carreras, Abel, Uranga-Barandiaran, Olatz, Castet, Frédéric et al.2019 · 15 citationsJournal of chemical theory and computation. 2019;15(4):2320-2330
Effects of Temperature on the Shape and Symmetry of Molecules and Solids.30025191 · Carreras, Abel, Bernuz, Efrem, Marugan, Xavier et al.2019 · 7 citationsChemistry (Weinheim an der Bergstrasse, Germany). 2019;25(3):673-691
DynaPhoPy: A code for extracting phonon quasiparticles from molecular dynamics simulations1708.03435v1 · Abel Carreras, Atsushi Togo, Isao Tanaka2017 · 232 citationsComputer Physics Communications, 221, (2017) 221-234,
Temperature-dependent phonon spectra of magnetic random solid solutions1702.02389v1 · Yuji Ikeda, Fritz Kormann, Biswanath Dutta et al.2017 · 23 citationsarXiv
Mode-decomposition based on crystallographic symmetry in the band-unfolding method1611.01299v1 · Yuji Ikeda, Abel Carreras, Atsuto Seko et al.2016 · 75 citationsPhys. Rev. B 95, 024305 (2017)
A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator.24852314 · Lorbach, Andreas, Maverick, Emily, Carreras, Abel et al.2015 · 12 citationsPhysical chemistry chemical physics : PCCP. 2014;16(25):12980-6
Pseudosymmetry analysis of molecular orbitals.23436743 · Casanova, David, Alemany, Pere, Falceto, Andrés et al.2014 · 8 citationsJournal of computational chemistry. 2013;34(15):1321-31
Concurrent symmetries: the interplay between local and global molecular symmetries.21207632 · Echeverría, Jorge, Carreras, Abel, Casanova, David et al.2011 · 14 citationsChemistry (Weinheim an der Bergstrasse, Germany). 2011;17(1):359-67
Career total: 57 works. 27 are in this corpus.
Profile built from the corpus for this byline.
Author records are still filling in while the Hub is in alpha. If this is your page, you'll be able to claim it soon. Spot a mistake? Tell us.