Committee neural network potentials control generalization errors and enable active learning C Schran, K Brezina, O Marsalek The Journal of Chemical Physics 153 (10), 2020 | 102 | 2020 |
Photoelectron spectra of alkali metal–ammonia microjets: From blue electrolyte to bronze metal T Buttersack, PE Mason, RS McMullen, HC Schewe, T Martinek, ... Science 368 (6495), 1086-1091, 2020 | 56 | 2020 |
Valence and core-level x-ray photoelectron spectroscopy of a liquid ammonia microjet T Buttersack, PE Mason, RS McMullen, T Martinek, K Brezina, D Hein, ... Journal of the American Chemical Society 141 (5), 1838-1841, 2019 | 31 | 2019 |
Can arginine inhibit insulin aggregation? A combined protein crystallography, capillary electrophoresis, and molecular simulation study K Březina, E Duboué-Dijon, V Palivec, J Jiráček, T Křížek, CM Viola, ... The Journal of Physical Chemistry B 122 (44), 10069-10076, 2018 | 31 | 2018 |
Benzene radical anion in the context of the Birch reduction: When solvation is the key K Brezina, P Jungwirth, O Marsalek The Journal of Physical Chemistry Letters 11 (15), 6032-6038, 2020 | 12 | 2020 |
Photoelectron spectroscopy of benzene in the liquid phase and dissolved in liquid ammonia HC Schewe, K Brezina, V Kostal, PE Mason, T Buttersack, DM Stemer, ... The Journal of Physical Chemistry B 126 (1), 229-238, 2021 | 9 | 2021 |
Benzene radical anion microsolvated in ammonia clusters: Modeling the transition from an unbound resonance to a bound species V Kostal, K Brezina, O Marsalek, P Jungwirth The Journal of Physical Chemistry A 125 (26), 5811-5818, 2021 | 6 | 2021 |
Electronic Structure of the Solvated Benzene Radical Anion K Brezina, V Kostal, P Jungwirth, O Marsalek The Journal of Chemical Physics 156 (1), 014501, 2021 | 6 | 2021 |
Reducing the cost of neural network potential generation for reactive molecular systems K Brezina, H Beck, O Marsalek Journal of Chemical Theory and Computation 19 (19), 6589-6604, 2023 | 3 | 2023 |
Elucidating the Nature of -hydrogen Bonding in Liquid Water and Ammonia K Brezina, H Beck, O Marsalek arXiv preprint arXiv:2403.12937, 2024 | | 2024 |
Stability and Reactivity of Aromatic Radical Anions in Solution with Relevance to Birch Reduction T Nemirovich, B Young, K Brezina, PE Mason, R Seidel, D Stemer, ... Journal of the American Chemical Society, 2024 | | 2024 |
Electrons in Liquid Ammonia and Water–from blue electrolytes to golden metallic solutions HC Schewe, PE Mason, T Buttersack, V Kostal, M Vitek, T Martinek, ... BOOK OF ABSTRACTS, 69, 2023 | | 2023 |
Research of Alkali Metal-Ammonia Microjets Published in Journal Science T Buttersack, PE Mason, RS McMullen, HC Schewe, T Martinek, ... | | |