| Coupled Cluster Method with Single and Double Excitations Tailored by Matrix Product State Wave Functions L Veis, A Antalík, J Brabec, F Neese, O Legeza, J Pittner The Journal of Physical Chemistry Letters 7 (20), 4072-4078, 2016 | 104 | 2016 |
| Numerical and Theoretical Aspects of the DMRG-TCC Method Exemplified by the Nitrogen Dimer FM Faulstich, M Máté, A Laestadius, MA Csirik, L Veis, A Antalik, J Brabec, ... Journal of Chemical Theory and Computation 15 (4), 2206-2220, 2019 | 51 | 2019 |
| The Intricate Case of Tetramethyleneethane: A Full Configuration Interaction Quantum Monte Carlo Benchmark and Multireference Coupled Cluster Studies L Veis, A Antalík, O Legeza, A Alavi, J Pittner Journal of Chemical Theory and Computation 14 (5), 2439-2445, 2018 | 40 | 2018 |
| Drop Coating Deposition Raman Spectroscopy of Liposomes: Role of Cholesterol E Kočišová, A Antalík, M Procházka Chemistry and Physics of Lipids 172, 1-5, 2013 | 37 | 2013 |
| Machine Learning-Assisted Selection of Active Spaces for Strongly Correlated Transition Metal Systems P Golub, A Antalik, L Veis, J Brabec Journal of Chemical Theory and Computation 17 (10), 6053–6072, 2021 | 20 | 2021 |
| Near-linear Scaling in DMRG-based Tailored Coupled Clusters: An Implementation of DLPNO-TCCSD and DLPNO-TCCSD(T) J Lang, A Antalík, L Veis, J Brandejs, J Brabec, O Legeza, J Pittner Journal of Chemical Theory and Computation 16 (5), 3028–3040, 2020 | 16 | 2020 |
| Toward the Efficient Local Tailored Coupled Cluster Approximation and the Peculiar Case of Oxo-Mn(Salen) A Antalík, L Veis, J Brabec, O Demel, Ö Legeza, J Pittner The Journal of Chemical Physics 151 (8), 084112, 2019 | 16 | 2019 |
| An Isolated Molecule of Iron(II) Phthalocyanin Exhibits Quintet Ground‐State: A Nexus between Theory and Experiment D Nachtigallová, A Antalík, R Lo, R Sedlák, D Manna, J Tuček, J Ugolotti, ... Chemistry–A European Journal 24, 13413-13417, 2018 | 16 | 2018 |
| On-Surface Hydrogenation of Buckybowls: From Curved Aromatic Molecules to Planar Non-Kekulé Aromatic Hydrocarbons C Wäckerlin, A Gallardo, A Mairena, M Baljozović, A Cahlík, A Antalík, ... ACS Nano 14 (12), 16735–16742, 2020 | 14 | 2020 |
| Ground State of the Fe(II)-porphyrin Model System Corresponds to Quintet: A DFT and DMRG-based Tailored CC Study A Antalík, D Nachtigallová, R Lo, M Matoušek, J Lang, O Legeza, J Pittner, ... Physical Chemistry Chemical Physics 22 (30), 17033–17037, 2020 | 14 | 2020 |
| Mutual information prediction for strongly correlated systems P Golub, A Antalik, P Beran, J Brabec Chemical Physics Letters 813, 140297, 2023 | 5 | 2023 |
| Ramanova spektroskopie kapkově nanášených povlaků liposomů s různým složením A Antalík Univerzita Karlova, Matematicko-fyzikální fakulta, 2012 | 1 | 2012 |
| MiMiC: A High-Performance Framework for Multiscale Molecular Dynamics Simulations A Antalík, A Levy, S Kvedaravičiūtė, SK Johnson, D Carrasco-Busturia, ... arXiv preprint arXiv:2403.19035, 2024 | | 2024 |
| Coupled clusters tailored by matrix product state wave functions A Antalík Univerzita Karlova, Matematicko-fyzikální fakulta, 2021 | | 2021 |
| SC1MC-2022: A database of transition metal complexes for training ML models to predict one-site entropies and mutual information P Golub, P Beran, A Antalik, J Brabec arXiv preprint arXiv:2101.06090, 2021 | | 2021 |
| Density matrix renormalization group calculations and entanglement optimization in quantum chemistry A Antalík Univerzita Karlova, Matematicko-fyzikální fakulta, 2015 | | 2015 |
