Dr. Abel Carreras

@article{10-1039-d5cp03907j,
  title = {Limitations of quantum hardware for molecular energy estimation using VQE},
  author = {Abel Carreras and Román Orús and David Casanova},
  journal = {Phys. Chem. Chem. Phys.},
  year = {2026},
  volume = {28},
  number = {4},
  pages = {2834--2846},
  doi = {10.1039/d5cp03907j},
  url = {https://doi.org/10.1039/d5cp03907j},
}

@article{santamar-a-2026-anharmonic-effects-revealed-by,
  title = {Anharmonic Effects Revealed by Temperature-Dependent Phonon Lifetimes and Thermal Conductivities in a π-Conjugated Molecular Crystal},
  author = {Guillermo Santamaría and Francesco Siddi and Abel Carreras and Riccardo Dettori and Michele Simoncelli and Claudio Melis and David Casanova and David Beljonne},
  journal = {Journal of Chemical Theory and Computation},
  year = {2026},
  volume = {22},
  number = {11},
  pages = {5742-5751},
  doi = {10.1021/acs.jctc.6c00412},
  url = {https://doi.org/10.1021/acs.jctc.6c00412},
}

@article{10-1039-d4cp04022h,
  title = {Using an aromatic linker to optimize charge-resonance states, photodimerization and reversibility in covalent anthracene dimers},
  author = {Kevin Lam and Robert J. Dillon and Abel Carreras and Tomohiko Nishiuchi and Takashi Kubo and Rabih O. Al-Kaysi and David Casanova and Christopher J. Bardeen},
  journal = {PHYSICAL CHEMISTRY CHEMICAL PHYSICS},
  year = {2025},
  volume = {27},
  number = {10},
  pages = {5305-5316},
  doi = {10.1039/d4cp04022h},
  url = {https://doi.org/10.1039/d4cp04022h},
}

@article{10-1021-acs-jctc-5c00535,
  title = {Pruned-ADAPT-VQE: Compacting Molecular Ansatze by Removing Irrelevant Operators},
  author = {Nonia Vaquero-Sabater and Abel Carreras and David Casanova},
  journal = {JOURNAL OF CHEMICAL THEORY AND COMPUTATION},
  year = {2025},
  volume = {21},
  number = {18},
  pages = {8720-8728},
  doi = {10.1021/acs.jctc.5c00535},
  url = {https://doi.org/10.1021/acs.jctc.5c00535},
}

@article{10-1039-d4sc06442a,
  title = {Folded-twisted mechanisms control dynamic redox properties, photophysics and electron transfer of anthanthrene-quinodimethanes},
  author = {Abel Cardenas Valdivia and Frederic Lirette and Jose M. Marin-Beloqui and Abel Carreras and David Casanova and Joel Boismenu-Lavoie and Jean-Francois Morin and Juan Casado},
  journal = {CHEMICAL SCIENCE},
  year = {2025},
  volume = {16},
  number = {4},
  pages = {1925-1931},
  doi = {10.1039/d4sc06442a},
  url = {https://doi.org/10.1039/d4sc06442a},
}

@article{10-1021-acs-jctc-3c01067,
  title = {Small-Occupation Density Functional Correlation Energy Correction to Wave Function Approximations},
  author = {Jose Aaron Rodriguez-Jimenez and Abel Carreras and David Casanova},
  journal = {JOURNAL OF CHEMICAL THEORY AND COMPUTATION},
  year = {2024},
  volume = {20},
  number = {3},
  pages = {1118-1129},
  doi = {10.1021/acs.jctc.3c01067},
  url = {https://doi.org/10.1021/acs.jctc.3c01067},
}

@article{10-1021-acs-jctc-4c00329,
  title = {Physically Motivated Improvements of Variational Quantum Eigensolvers},
  author = {Nonia Vaquero-Sabater and Abel Carreras and Roman Orus and Nicholas J. Mayhall and David Casanova},
  journal = {JOURNAL OF CHEMICAL THEORY AND COMPUTATION},
  year = {2024},
  volume = {20},
  number = {12},
  pages = {5133-5144},
  doi = {10.1021/acs.jctc.4c00329},
  url = {https://doi.org/10.1021/acs.jctc.4c00329},
}

@article{10-1021-acs-jpca-2c08056,
  title = {Spin-Orbit Couplings of Open-Shell Systems with Restricted Active Space Configuration Interaction},
  author = {Jose Aaron Rodriguez-Jimenez and Abel Carreras and David Casanova},
  journal = {JOURNAL OF PHYSICAL CHEMISTRY A},
  year = {2023},
  volume = {127},
  number = {5},
  pages = {1206-1218},
  doi = {10.1021/acs.jpca.2c08056},
  url = {https://doi.org/10.1021/acs.jpca.2c08056},
}

@article{10-1002-cptc-202200066,
  title = {Theory of Exciton Dynamics in Thermally Activated Delayed Fluorescence},
  author = {Abel Carreras and David Casanova},
  journal = {CHEMPHOTOCHEM},
  year = {2022},
  volume = {6},
  number = {8},
  doi = {10.1002/cptc.202200066},
  url = {https://doi.org/10.1002/cptc.202200066},
}

@article{10-1063-5-0078406,
  title = {Simple evaluation of dynamic disorder effects on exciton transport},
  author = {Abel Carreras and David Casanova},
  journal = {JOURNAL OF CHEMICAL PHYSICS},
  year = {2022},
  volume = {156},
  number = {4},
  doi = {10.1063/5.0078406},
  url = {https://doi.org/10.1063/5.0078406},
}

@article{10-1063-5-0046404,
  title = {Short-range DFT energy correction to multiconfigurational wave functions for open-shell systems},
  author = {Jose Aaron Rodriguez-Jimenez and Abel Carreras and David Casanova},
  journal = {JOURNAL OF CHEMICAL PHYSICS},
  year = {2021},
  volume = {154},
  number = {12},
  doi = {10.1063/5.0046404},
  url = {https://doi.org/10.1063/5.0046404},
}

@article{10-1063-5-0029146,
  title = {Calculation of spin-orbit couplings using RASCI spinless one-particle density matrices: Theory and applications},
  author = {Abel Carreras and Hanjie Jiang and Pavel Pokhilko and Anna I Krylov and Paul M. Zimmerman and David Casanova},
  journal = {JOURNAL OF CHEMICAL PHYSICS},
  year = {2020},
  volume = {153},
  number = {21},
  doi = {10.1063/5.0029146},
  url = {https://doi.org/10.1063/5.0029146},
}

@article{10-1039-c9cp00641a,
  title = {Triangular graphene nanofragments: open-shell character and doping},
  author = {Maria E. Sandoval-Salinas and Abel Carreras and David Casanova},
  journal = {PHYSICAL CHEMISTRY CHEMICAL PHYSICS},
  year = {2019},
  volume = {21},
  number = {18},
  pages = {9069-9076},
  doi = {10.1039/c9cp00641a},
  url = {https://doi.org/10.1039/c9cp00641a},
}

@article{10-1063-1-5097048,
  title = {Singlet fission in spiroconjugated dimers},
  author = {María E. Sandoval-Salinas and Abel Carreras and Juan Casado and David Casanova},
  journal = {JOURNAL OF CHEMICAL PHYSICS},
  year = {2019},
  volume = {150},
  number = {20},
  doi = {10.1063/1.5097048},
  url = {https://doi.org/10.1063/1.5097048},
}

@article{10-1021-acs-jctc-9b00019,
  title = {Photophysics of Molecular Aggregates from Excited State Diabatization},
  author = {Abel Carreras and Olatz Uranga-Barandiaran and Frederic Castet and David Casanova},
  journal = {JOURNAL OF CHEMICAL THEORY AND COMPUTATION},
  year = {2019},
  volume = {15},
  number = {4},
  pages = {2320-2330},
  doi = {10.1021/acs.jctc.9b00019},
  url = {https://doi.org/10.1021/acs.jctc.9b00019},
}

@article{10-1016-j-chempr-2019-02-010,
  title = {Cholesteric Aggregation at the Quinoidal-to-Diradical Border Enabled Stable n-Doped Conductor},
  author = {Dafei Yuan and Dazhen Huang and Samara Medina Rivero and Abel Carreras and Cheng Zhang and Ye Zou and Xuechen Jiao and Christopher R. McNeill and Xiaozhang Zhu and Chong-an Di and Daoben Zhu and David Casanova and Juan Casado},
  journal = {CHEM},
  year = {2019},
  volume = {5},
  number = {4},
  pages = {964-976},
  doi = {10.1016/j.chempr.2019.02.010},
  url = {https://doi.org/10.1016/j.chempr.2019.02.010},
}

@article{10-1016-j-cplett-2016-09-054,
  title = {A push-pull organic dye with a quinoidal thiophene linker: Photophysical properties and solvent effects},
  author = {Claudia Climent and Abel Carreras and Pere Alemany and David Casanova},
  journal = {CHEMICAL PHYSICS LETTERS},
  year = {2016},
  volume = {663},
  pages = {45-50},
  doi = {10.1016/j.cplett.2016.09.054},
  url = {https://doi.org/10.1016/j.cplett.2016.09.054},
}

@article{10-1002-jcc-23257,
  title = {Pseudosymmetry analysis of molecular orbitals},
  author = {David Casanova and Pere Alemany and Andres Falceto and Abel Carreras and Santiago Alvarez},
  journal = {JOURNAL OF COMPUTATIONAL CHEMISTRY},
  year = {2013},
  volume = {34},
  number = {15},
  pages = {1321-1331},
  doi = {10.1002/jcc.23257},
  url = {https://doi.org/10.1002/jcc.23257},
}

@article{10-1002-chem-201002128,
  title = {Concurrent Symmetries: The Interplay Between Local and Global Molecular Symmetries},
  author = {Jorge Echeverria and Abel Carreras and David Casanova and Pere Alemany and Santiago Alvarez},
  journal = {CHEMISTRY-A EUROPEAN JOURNAL},
  year = {2011},
  volume = {17},
  number = {1},
  pages = {359-367},
  doi = {10.1002/chem.201002128},
  url = {https://doi.org/10.1002/chem.201002128},
}