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
55 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, ...