JB
Jiří Brabec
physics.chem-phquant-phcond-mat.str-elphysics.comp-phcond-mat.mtrl-sciscanning probe microscopyantidot engineeringbuckybowlscouple cluster approximationcoupled-cluster methods
On Valency
published · living versionsW_kb7yr3up·v1 · currentpublished
Mitigating Errors in Variational Quantum Eigensolver Calculations through Extended Random Phase Approximation
with Michael Wagner, Pavel Begy, Alexandra Tucholská, Mikuláš Matoušek +2
1 version
Preprints & journals
39 papers in the corpus · 2006–2026GW and Bethe-Salpeter Theory for Molecular Polaritons, Quasiparticles, and Excitons2609.00594v2 · Soohaeng Yoo Willow, Gi Beom Sim, Tae Hyeon Park et al.2026 · 0 citationsarXiv
Integrated Software/Hardware Execution Models for High-Accuracy Methods in Chemistry2510.01205v1 · Nicholas Bauman, Ajay Panyala, Libor Veis et al.2025 · 0 citationsarXiv
Density Matrix Renormalization Group Approach Based on the Coupled-Cluster Downfolded Hamiltonians.40293355 · Bauman, Nicholas, Veis, Libor, Kowalski, Karol et al.2025 · 1 citationJournal of chemical theory and computation. 2025;21(9):4319-4327
Importance of Electron Correlation on the Geometry and Electronic Structure of [2Fe-2S] Systems: A Benchmark Study of the [Fe2S2(SCH3)4]2-,3-,4-, [Fe2S2(SCys)4]2-, [Fe2S2(S-p-tol)4]2-, and [Fe2S2(S-o-xyl)4]2- Complexes.39561296 · Tzeli, Demeter, Golub, Pavlo, Brabec, Jiri et al.2024 · 14 citationsJournal of chemical theory and computation. 2024;20(23):10406-10423
Highly entangled polyradical nanographene with coexisting strong correlation and topological frustration.38374456 · Song, Shaotang, Pinar Solé, Andrés, Matěj, Adam et al.2026 · 88 citationsNature chemistry. 2024;16(6):938-944
On-Surface Synthesis and Determination of the Open-Shell Singlet Ground State of Tridecacene.38192200 · Zuzak, Rafal, Kumar, Manish, Stoica, Otilia et al.2024 · 40 citationsAngewandte Chemie (International ed. in English). 2024;63(9):e202317091
Hilbert space multireference coupled cluster tailored by matrix product states.38095205 · Demel, Ondřej, Brandejs, Jan, Lang, Jakub et al.2023 · 8 citationsThe Journal of chemical physics. 2023;159(22)
Role of Spin Polarization and Dynamic Correlation in Singlet-Triplet Gap Inversion of Heptazine Derivatives.37864544 · Drwal, Daria, Matousek, Mikulas, Golub, Pavlo et al.2023 · 49 citationsJournal of chemical theory and computation. 2023;19(21):7606-7616
The role of spin polarization and dynamic correlation in singlet-triplet gap inversion of heptazine derivatives2307.09075v1 · Daria Drwal, Mikulas Matousek, Pavlo Golub et al.2023 · 1 citationarXiv
TAMM: Tensor algebra for many-body methods.37428065 · Mutlu, Erdal, Panyala, Ajay, Gawande, Nitin et al.2023 · 25 citationsThe Journal of chemical physics. 2023;159(2)
Interplay between π-Conjugation and Exchange Magnetism in One-Dimensional Porphyrinoid Polymers.35817408 · Biswas, Kalyan, Urbani, Maxence, Sánchez-Grande, Ana et al.2022 · 39 citationsJournal of the American Chemical Society. 2022;144(28):12725-12731
Machine Learning-Assisted Selection of Active Spaces for Strongly Correlated Transition Metal Systems.34570505 · Golub, Pavlo, Antalik, Andrej, Veis, Libor et al.2021 · 37 citationsJournal of chemical theory and computation. 2021;17(10):6053-6072
On-Surface Strain-Driven Synthesis of Nonalternant Non-Benzenoid Aromatic Compounds Containing Four- to Eight-Membered Rings.34379396 · Mallada, Benjamin, de la Torre, Bruno, Mendieta-Moreno, Jesús I et al.2021 · 62 citationsJournal of the American Chemical Society. 2021;143(36):14694-14702
The Effect of Geometry, Spin and Orbital Optimization in Achieving Accurate, Fully-Correlated Results for Iron-Sulfur Cubanes2105.01754v2 · Carlos Mejuto-Zaera, Demeter Tzeli, David Williams-Young et al.2021 · 23 citationsarXiv
SC1MC-2022: A database of transition metal complexes for training ML models to predict one-site entropies and mutual information2101.06090v2 · Pavlo Golub, Pavel Beran, Andrej Antalik et al.2021 · 1 citationarXiv
Massively parallel quantum chemical density matrix renormalization group method.33377527 · Brabec, Jiri, Brandejs, Jan, Kowalski, Karol et al.2021 · 84 citationsJournal of computational chemistry. 2021;42(8):534-544
Unravelling the Open-Shell Character of Peripentacene on Au(111).33352044 · Sánchez-Grande, Ana, Urgel, José I, Veis, Libor et al.2021 · 51 citationsThe journal of physical chemistry letters. 2021;12(1):330-336
On-Surface Synthesis and Characterization of [7]Triangulene Quantum Ring.33305570 · Su, Jie, Fan, Wei, Mutombo, Pingo et al.2021 · 103 citationsNano letters. 2021;21(1):861-867
Solving Coupled Cluster Equations by the Newton Krylov Method.33363108 · Yang, Chao, Brabec, Jiri, Veis, Libor et al.2020 · 12 citationsFrontiers in chemistry. 2020;8:590184
Automatic selection of active spaces for strongly correlated systems using machine learning algorithms2011.14715v1 · Pavlo Golub, Andrej Antalik, Libor Veis et al.2020 · 3 citationsarXiv
On-Surface Hydrogenation of Buckybowls: From Curved Aromatic Molecules to Planar Non-Kekulé Aromatic Hydrocarbons.32687321 · Wäckerlin, Christian, Gallardo, Aurelio, Mairena, Anaïs et al.2022 · 21 citationsACS nano. 2020;14(12):16735-16742
Near-Linear Scaling in DMRG-Based Tailored Coupled Clusters: An Implementation of DLPNO-TCCSD and DLPNO-TCCSD(T).32275424 · Lang, Jakub, Antalík, Andrej, Veis, Libor et al.2020 · 18 citationsJournal of chemical theory and computation. 2020;16(5):3028-3040
Toward the efficient local tailored coupled cluster approximation and the peculiar case of oxo-Mn(Salen).31470730 · Antalík, Andrej, Veis, Libor, Brabec, Jiří et al.2019 · 18 citationsThe Journal of chemical physics. 2019;151(8):084112
Numerical and Theoretical Aspects of the DMRG-TCC Method Exemplified by the Nitrogen Dimer.30802406 · Faulstich, Fabian M, Máté, Mihály, Laestadius, Andre et al.2019 · 58 citationsJournal of chemical theory and computation. 2019;15(4):2206-2220
Perturbative triples correction to domain-based local pair natural orbital variants of Mukherjee's state specific coupled cluster method.30762044 · Lang, Jakub, Brabec, Jiří, Saitow, Masaaki et al.2019 · 16 citationsPhysical chemistry chemical physics : PCCP. 2019;21(9):5022-5038
Domain-Based Local Pair Natural Orbital Version of Mukherjee's State-Specific Coupled Cluster Method.29345924 · Brabec, Jiri, Lang, Jakub, Saitow, Masaaki et al.2018 · 37 citationsJournal of chemical theory and computation. 2018;14(3):1370-1382
Chelation and stabilization of berkelium in oxidation state +IV.28837177 · Deblonde, Gauthier J-P, Sturzbecher-Hoehne, Manuel, Rupert, Peter B et al.2019 · 87 citationsNature chemistry. 2017;9(9):843-849
Correction to Coupled Cluster Method with Single and Double Excitations Tailored by Matrix Product State Wave Functions.28001413 · Veis, Libor, Antalík, Andrej, Brabec, Jiří et al.2019 · 7 citationsThe journal of physical chemistry letters. 2017;8(1):291
Perturbative universal state-selective correction for state-specific multi-reference coupled cluster methods.27802607 · Brabec, Jiri, Banik, Subrata, Kowalski, Karol et al.2017 · 7 citationsThe Journal of chemical physics. 2016;145(16):164106
Coupled Cluster Method with Single and Double Excitations Tailored by Matrix Product State Wave Functions.27682626 · Veis, Libor, Antalík, Andrej, Brabec, Jiří et al.2019 · 102 citationsThe journal of physical chemistry letters. 2016;7(20):4072-4078
Reduced-cost sparsity-exploiting algorithm for solving coupled-cluster equations.26804120 · Brabec, Jiri, Yang, Chao, Epifanovsky, Evgeny et al.2016 · 3 citationsJournal of computational chemistry. 2016;37(12):1059-67
Efficient Algorithms for Estimating the Absorption Spectrum within Linear Response TDDFT.26894238 · Brabec, Jiri, Lin, Lin, Shao, Meiyue et al.2016 · 45 citationsJournal of chemical theory and computation. 2015;11(11):5197-208
Nonlinear Optical Properties of Fluorescent Dyes Allow for Accurate Determination of Their Molecular Orientations in Phospholipid Membranes.26146848 · Timr, Štěpán, Brabec, Jiří, Bondar, Alexey et al.2016 · 13 citationsThe journal of physical chemistry. B. 2015;119(30):9706-16
Iterative universal state selective correction for the Brillouin-Wigner multireference coupled-cluster theory.25796230 · Banik, Subrata, Ravichandran, Lalitha, Brabec, Jiří et al.2015 · 6 citationsThe Journal of chemical physics. 2015;142(11):114106
Communication: Application of state-specific multireference coupled cluster methods to core-level excitations.23145708 · Brabec, Jiří, Bhaskaran-Nair, Kiran, Govind, Niranjan et al.2013 · 52 citationsThe Journal of chemical physics. 2012;137(17):171101
Implementation of the multireference Brillouin-Wigner and Mukherjee's coupled cluster methods with non-iterative triple excitations utilizing reference-level parallelism.22957560 · Bhaskaran-Nair, Kiran, Brabec, Jiří, Aprà, Edoardo et al.2013 · 23 citationsThe Journal of chemical physics. 2012;137(9):094112
Universal state-selective corrections to multi-reference coupled-cluster theories with single and double excitations.22462830 · Brabec, Jiří, van Dam, Hubertus J J, Pittner, Jiří et al.2012 · 21 citationsThe Journal of chemical physics. 2012;136(12):124102
Parallel Implementation of Multireference Coupled-Cluster Theories Based on the Reference-Level Parallelism.26596599 · Brabec, Jiří, Pittner, Jiří, van Dam, Hubertus J J et al.2015 · 26 citationsJournal of chemical theory and computation. 2012;8(2):487-97
The singlet-triplet gap in trimethylenmethane and the ring-opening of methylenecyclopropane: a multireference Brillouin-Wigner coupled cluster study.17034171 · Brabec, Jirí, Pittner, Jirí2007 · 49 citationsThe journal of physical chemistry. A. 2006;110(41):11765-9
Career total: 60 works. 39 are in this corpus.
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