Libor Veis

Czech Academy of Sciences — Czech Republic

Physics and Astronomy · Physical Sciences

22h-index1.3kcitations91works6.32yr avg
OpenAlex↗ORCID↗Google Scholar↗Lab page↗

Accepting Students?

No reports yet. Know if this professor is taking students?

Research Topics

Advanced Chemical Physics Studies(39), Spectroscopy and Quantum Chemical Studies(23), Quantum and electron transport phenomena(13), Quantum many-body systems(12), Quantum Computing Algorithms and Architecture(11)

Publications91 total

A Stochastic Cluster Expansion for Electronic Correlation in Large Systems
ArXiv.org·2026Open Access
A Stochastic Cluster Expansion for Electronic Correlation in Large Systems
arXiv (Cornell University)·2026Open Access
Projection-Based DMRG-in-DFT Embedding Corrected by Nonadditive Exchange-Correlation
Journal of Chemical Theory and Computation·2026
Multispin Entangled Polyradical Roaming Reactions from Spin-Symmetry Breakings and Aromatic Ring Fission in Nitroaromatic Energetic Molecules
JACS Au·2026Open Access
Projection-based DMRG-in-DFT embedding corrected by non-additive exchange-correlation
arXiv (Cornell University)·2025Open Access
Perspective on Many-Body Methods for Molecular Polaritonic Systems
Journal of Chemical Theory and Computation·2025· 3 citedOpen Access
Integrated Software/Hardware Execution Models for High-Accuracy Methods in Chemistry
arXiv (Cornell University)·2025Open Access
Modeling Strong Light-Matter Coupling in Correlated Systems: State-Averaged Cavity Quantum Electrodynamics Complete Active Space Self-Consistent Field Theory
Journal of Chemical Theory and Computation·2025· 4 citedOpen Access
Multireference Theory of Scanning Tunneling Spectroscopy Beyond One-Electron Molecular Orbitals: Can We Image Molecular Orbitals?
Journal of the American Chemical Society·2025· 1 citedOpen Access
Correcting Basis Set Incompleteness in Wave Function Correlation Energy by Dressing Electronic Hamiltonian with an Effective Short-Range Interaction
The Journal of Physical Chemistry Letters·2025Open Access
Density Matrix Renormalization Group Approach Based on the Coupled-Cluster Downfolded Hamiltonians
Journal of Chemical Theory and Computation·2025· 1 cited
Theory of scanning tunneling spectroscopy beyond one-electron molecular orbitals: can we image molecular orbitals?
arXiv (Cornell University)·2025Open Access
Quantum Chemical Density Matrix Renormalization Group Method Boosted by Machine Learning
The Journal of Physical Chemistry Letters·2025Open Access
Quantum Chemical Density Matrix Renormalization Group Method Boosted by Machine Learning
arXiv (Cornell University)·2024Open Access
Importance of Electron Correlation on the Geometry and Electronic Structure of [2Fe–2S] Systems: A Benchmark Study of the [Fe<sub>2</sub>S<sub>2</sub>(SCH<sub>3</sub>)<sub>4</sub>]<sup>2–,3–,4–</sup>, [Fe<sub>2</sub>S<sub>2</sub>(SCys)<sub>4</sub>]<sup>2–</sup>, [Fe<sub>2</sub>S<sub>2</sub>(S-<i>p</i>-tol)<sub>4</sub>]<sup>2–</sup>, and [Fe<sub>2</sub>S<sub>2</sub>(S-<i>o</i>-xyl)<sub>4</sub>]<sup>2–</sup> Complexes
Journal of Chemical Theory and Computation·2024· 8 citedOpen Access
Density Matrix Renormalization Group Approach Based on the Coupled-Cluster Downfolded Hamiltonians
arXiv (Cornell University)·2024Open Access
Polaritonic Chemistry Using the Density Matrix Renormalization Group Method
Journal of Chemical Theory and Computation·2024· 16 citedOpen Access
Globally aromatic odd-electron π-magnetic macrocycle
Chem·2024· 8 cited
Polaritonic Chemistry using the Density Matrix Renormalization Group Method
arXiv (Cornell University)·2024· 2 citedOpen Access
Highly entangled polyradical nanographene with coexisting strong correlation and topological frustration
Nature Chemistry·2024· 63 cited
page 1 of 5Next →

Frequent Co-authors

Jiří Brabec(22), Jiřı́ Pittner(16), Örs Legeza(13), Andrej Antalík(10), Mikuláš Matoušek(10), Pavel Jelı́nek(9), Katarzyna Pernal(9), Pavlo Golub(6), Adam Matěj(5), Karol Kowalski(5), Pingo Mutombo(4), Dana Nachtigallová(4), Pavel Beran(4), Michał Hapka(4), Shaotang Song(3), Mykola Telychko(3), Jishan Wu(3), Jiong Lu(3), Andrés Pinar Solé(3), Diego Soler(3)