Libor Veis

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 30

Top Topics

Iron Deficiency

Density Functional Theory

Energy Transfer

Transition Metal

Top Venues

Journal of chemical theory and computation

The journal of physical chemistry letters

Nature chemistry

The journal of physical chemistry. A

This page only lists publications with an associated author ORCID identifier.

Publications

Shaotang Song, Andrés Pinar Solé, Adam Matěj, Guangwu Li, Oleksandr Stetsovych, Diego Soler, Huimin Yang, Mykola Telychko, Jing Li, Manish Kumar, Qifan Chen, Shayan Edalatmanesh, Jiri Brabec, Libor Veis, Jishan Wu, Pavel Jelínek, Jiong Lu
Highly entangled polyradical nanographene with coexisting strong correlation and topological frustration. Nature chemistry 16 (6) (2024)
Shaotang Song, Andrés Pinar Solé, Adam Matěj, Guangwu Li, Oleksandr Stetsovych, Diego Soler, Huimin Yang, Mykola Telychko, Jing Li, Manish Kumar, Qifan Chen, Shayan Edalatmanesh, Jiri Brabec, Libor Veis, Jishan Wu, Pavel Jelínek, Jiong Lu
Highly entangled polyradical nanographene with coexisting strong correlation and topological frustration. Nature chemistry 16 (6) (2024)
Mikuláš Matoušek, Katarzyna Pernal, Fabijan Pavošević, Libor Veis
Variational Quantum Eigensolver Boosted by Adiabatic Connection. The journal of physical chemistry. A 128 (3) (2024)
Shaotang Song, Andrés Pinar Solé, Adam Matěj, Guangwu Li, Oleksandr Stetsovych, Diego Soler, Huimin Yang, Mykola Telychko, Jing Li, Manish Kumar, Qifan Chen, Shayan Edalatmanesh, Jiri Brabec, Libor Veis, Jishan Wu, Pavel Jelínek, Jiong Lu
Highly entangled polyradical nanographene with coexisting strong correlation and topological frustration. Nature chemistry (2024)
Mikuláš Matoušek, Katarzyna Pernal, Fabijan Pavošević, Libor Veis
Variational Quantum Eigensolver Boosted by Adiabatic Connection. The journal of physical chemistry. A 128 (3) (2024)
Mikuláš Matoušek, Katarzyna Pernal, Fabijan Pavošević, Libor Veis
Variational Quantum Eigensolver Boosted by Adiabatic Connection. The journal of physical chemistry. A (2024)
Mikuláš Matoušek, Michał Hapka, Libor Veis, Katarzyna Pernal
Toward more accurate adiabatic connection approach for multireference wavefunctions. The Journal of chemical physics 158 (5) (2023)
Pavel Beran, Katarzyna Pernal, Fabijan Pavošević, Libor Veis
Projection-Based Density Matrix Renormalization Group in Density Functional Theory Embedding. The journal of physical chemistry letters (2023)
Daria Drwal, Mikulas Matousek, Pavlo Golub, Aleksandra M Tucholska, Michał Hapka, Jiri Brabec, Libor Veis, Katarzyna Pernal
Role of Spin Polarization and Dynamic Correlation in Singlet-Triplet Gap Inversion of Heptazine Derivatives. Journal of chemical theory and computation (2023)
Pavel Beran, Katarzyna Pernal, Fabijan Pavošević, Libor Veis
Projection-Based Density Matrix Renormalization Group in Density Functional Theory Embedding. The journal of physical chemistry letters 14 (3) (2023)
Pavel Beran, Katarzyna Pernal, Fabijan Pavošević, Libor Veis
Projection-Based Density Matrix Renormalization Group in Density Functional Theory Embedding. The journal of physical chemistry letters 14 (3) (2023)
Libor Veis
A further step towards the practical application of quantum computing in chemistry. Communications chemistry 5 (1) (2022)
Libor Veis
A further step towards the practical application of quantum computing in chemistry. Communications chemistry 5 (1) (2022)
Carlos Mejuto-Zaera, Demeter Tzeli, David B Williams-Young, Norman M Tubman, Mikuláš Matoušek, Jiri Brabec, Libor Veis, Sotiris S Xantheas, Wibe A de Jong
The Effect of Geometry, Spin, and Orbital Optimization in Achieving Accurate, Correlated Results for Iron-Sulfur Cubanes. Journal of chemical theory and computation 18 (2) (2022)
Kalyan Biswas, Maxence Urbani, Ana Sánchez-Grande, Diego Soler-Polo, Koen Lauwaet, Adam Matěj, Pingo Mutombo, Libor Veis, Jiri Brabec, Katarzyna Pernal, José M Gallego, Rodolfo Miranda, David Ecija, Pavel Jelínek, Tomás Torres, José I Urgel
Interplay between π-Conjugation and Exchange Magnetism in One-Dimensional Porphyrinoid Polymers. Journal of the American Chemical Society 144 (28) (2022)
Daria Drwal, Pavel Beran, Michał Hapka, Marcin Modrzejewski, Adam Sokół, Libor Veis, Katarzyna Pernal
Efficient Adiabatic Connection Approach for Strongly Correlated Systems: Application to Singlet-Triplet Gaps of Biradicals. The journal of physical chemistry letters 13 (20) (2022)
Pavlo Golub, Andrej Antalík, Libor Veis, Jiri Brabec
Machine Learning-Assisted Selection of Active Spaces for Strongly Correlated Transition Metal Systems. Journal of chemical theory and computation 17 (10) (2021)
Gergely Barcza, Viktor Ivády, Tibor Szilvási, Márton Vörös, Libor Veis, Ádám Gali, Örs Legeza
DMRG on Top of Plane-Wave Kohn-Sham Orbitals: A Case Study of Defected Boron Nitride. Journal of chemical theory and computation 17 (2) (2021)
Pavel Beran, Mikuláš Matoušek, Michał Hapka, Katarzyna Pernal, Libor Veis
Density Matrix Renormalization Group with Dynamical Correlation via Adiabatic Connection. Journal of chemical theory and computation (2021)
Benjamin Mallada, Bruno de la Torre, Jesús I Mendieta-Moreno, Dana Natchigallová, Adam Matěj, Mikulas Matoušek, Pingo Mutombo, Jiri Brabec, Libor Veis, Timothée Cadart, Martin Kotora, Pavel Jelínek
On-Surface Strain-Driven Synthesis of Nonalternant Non-Benzenoid Aromatic Compounds Containing Four- to Eight-Membered Rings. Journal of the American Chemical Society 143 (36) (2021)
Jakub Lang, Andrej Antalík, Libor Veis, Jan Brandejs, Jiri Brabec, Örs Legeza, Jiří Pittner
Near-Linear Scaling in DMRG-Based Tailored Coupled Clusters: An Implementation of DLPNO-TCCSD and DLPNO-TCCSD(T). Journal of chemical theory and computation 16 (5) (2020)
Jie Su, Wei Fan, Pingo Mutombo, Xinnan Peng, Shaotang Song, Martin Ondráček, Pavlo Golub, Jiri Brabec, Libor Veis, Mykola Telychko, Pavel Jelínek, Jishan Wu, Jiong Lu
On-Surface Synthesis and Characterization of [7]Triangulene Quantum Ring. Nano letters 21 (1) (2020)
Christian Wäckerlin, Aurelio Gallardo, Anaïs Mairena, Milos Baljozovic, Aleš Cahlík, Andrej Antalík, Jiri Brabec, Libor Veis, Dana Nachtigallová, Pavel Jelínek, Karl-Heinz Ernst
On-Surface Hydrogenation of Buckybowls: From Curved Aromatic Molecules to Planar Non-Kekulé Aromatic Hydrocarbons. ACS nano (2020)
Andrej Antalík, Dana Natchigallová, Rabindranath Lo, Mikuláš Matoušek, Jakub Lang, Örs Legeza, Jiří Pittner, Pavel Hobza, Libor Veis
Ground state of the Fe(ii)-porphyrin model system corresponds to quintet: a DFT and DMRG-based tailored CC study. Physical chemistry chemical physics : PCCP 22 (30) (2020)
Ana Sánchez-Grande, José I Urgel, Libor Veis, Shayan Edalatmanesh, Nazario Martín, Koen Lauwaet, Pingo Mutombo, José M Gallego, Jiri Brabec, Pavel Beran, Dana Natchigallová, Rodolfo Miranda, Nazario Martin, Pavel Jelínek, David Ecija
Unravelling the Open-Shell Character of Peripentacene on Au(111). The journal of physical chemistry letters 12 (1) (2020)
Jiri Brabec, Jan Brandejs, Karol Kowalski, Sotiris Xantheas, Örs Legeza, Libor Veis
Massively parallel quantum chemical density matrix renormalization group method. Journal of computational chemistry 42 (8) (2020)
Yudong Cao, Jonathan Romero, Jonathan P Olson, Matthias Degroote, Peter D Johnson, Mária Kieferová, Ian D Kivlichan, Tim Menke, Borja Peropadre, Nicolas P D Sawaya, Sukin Sim, Libor Veis, Alán Aspuru-Guzik
Quantum Chemistry in the Age of Quantum Computing. Chemical reviews 119 (19) (2019)
Ewa Pastorczak, Michał Hapka, Libor Veis, Katarzyna Pernal
Capturing the Dynamic Correlation for Arbitrary Spin-Symmetry CASSCF Reference with Adiabatic Connection Approaches: Insights into the Electronic Structure of the Tetramethyleneethane Diradical. The journal of physical chemistry letters 10 (16) (2019)
Fabian M Faulstich, Mihály Máté, Andre Laestadius, Mihály András Csirik, Libor Veis, Andrej Antalík, Jiri Brabec, Reinhold Schneider, Jiří Pittner, Simen Kvaal, Örs Legeza
Numerical and Theoretical Aspects of the DMRG-TCC Method Exemplified by the Nitrogen Dimer. Journal of chemical theory and computation 15 (4) (2019)
Libor Veis, Andrej Antalík, Örs Legeza, Ali Alavi, Jiří Pittner
The Intricate Case of Tetramethyleneethane: A Full Configuration Interaction Quantum Monte Carlo Benchmark and Multireference Coupled Cluster Studies. Journal of chemical theory and computation 14 (5) (2018)