FB
Fabian Berger
cond-mat.mtrl-sciphysics.chem-phacid-base equilibriaalkanesalkenesaluminium oxideazuleneBrønsted acid sitesBrønsted-Acid Siteschirality
On Valency
published · living versionsW_m3kt26zu·v1 · currentpublished
Breaking Water at Graphene Defects
with Samuel G. H. Brookes, IniOluwa C. Popoola, Kara D. Fong, Angelos Michaelides +1
1 version
Preprints & journals
24 papers in the corpus · 2016–2026Assessing the Transferability of General-Purpose MachineLearning Interatomic Potentials for Heterogeneous Catalysis with HetCat262609.30621v1 · Alexandre Peuch, Giaan Kler-Young, Kaifeng Niu et al.2026 · 0 citationsarXiv
An Atlas and Design Rules for Single- and Dual-Atom Alloys2609.19087v1 · Fabian Berger, Yicheng Wang, E. Charles H. Sykes et al.2026 · 0 citationsarXiv
Breaking Water at Graphene Defects2609.11602v1 · Samuel G. H. Brookes, IniOluwa C. Popoola, Fabian Berger et al.2026 · 0 citationsarXivon Valency
Mechanisms for the formation of active sites in single-atom alloys.41969131 · Karageorgiou, Ioannis, Michaelides, Angelos, Berger, Fabian2026 · 1 citationNanoscale. 2026;18(18):9709-9722
Atomistic Model for Water Adsorption in Mg-MOF-74: Quantum Chemical Prediction of Structures and Isotherms.41837322 · Mancini, Nicole, Berger, Fabian, Rybicki, Marcin et al.2026 · 6 citationsJournal of the American Chemical Society. 2026;148(11):12296-12306
CO2, N2 and H2 adsorption in Zn2+-containing zeolites and metal-organic frameworks.41661554 · Samal, Pragnya Paramita, Berger, Fabian, Krishnamurty, Sailaja et al.2026 · 3 citationsPhysical chemistry chemical physics : PCCP. 2026;28(8):5161-5174
Water Adsorption at Pairs of Proximate Brønsted Acid Sites in Zeolites.41532184 · Windeck, Henning, Willimetz, Daniel, Erlebach, Andreas et al.2026 · 4 citationsThe journal of physical chemistry letters. 2026;17(4):1201-1206
The Elusive Nature of Aromatic Carbocation Intermediates in Confined Catalytic Environments10.26434/chemrxiv-2026-2krfd/v2 · Chintu Das, Princy Jarngal, Fabian Berger et al.2026 · 1 citationChemRxiv
How accurate are DFT forces? Unexpectedly large uncertainties in molecular datasets.41369061 · Kuryla, Domantas, Berger, Fabian, Csányi, Gábor et al.2025 · 13 citationsThe Journal of chemical physics. 2025;163(22)
A foundation model for atomistic materials chemistry.41230846 · Batatia, Ilyes, Benner, Philipp, Chiang, Yuan et al.2025 · 594 citationsThe Journal of chemical physics. 2025;163(18)
When Are Dopant d-States Free-Atom-Like? Periodic Trends and Confinement Effects in Single-Atom Alloys.41042720 · Berger, Fabian, Michaelides, Angelos2025 · 14 citationsJournal of the American Chemical Society. 2025;147(41):37079-37088
Interaction strength of carbon dioxide on graphene from periodic quantum diffusion Monte Carlo.40827664 · Della Pia, Flaviano, Kler-Young, Giaan, Zen, Andrea et al.2025 · 2 citationsThe Journal of chemical physics. 2025;163(7)
Unexpected structural isomers of AlFe2O4 + and AlCo2O4 +: vibrational spectroscopy and ion mobility combined with quantum chemistry.40474958 · Schwedland, Winni, Penna, Tatiana C, Windeck, Henning et al.2025 · 3 citationsChemical science. 2025;16(26):11999-12011
Modeling Oxidative Dehydrogenation of Propane with Supported Vanadia Catalysts Using Multireference Methods10.26434/chemrxiv-2025-4r3vx-v2 · Mukunda Mandal, Matthew R. Hermes, Fabian Berger et al.2025 · 4 citationsChemRxiv
Bringing Molecules Together: Synergistic Coadsorption at Dopant Sites of Single Atom Alloys.39356554 · Berger, Fabian, Schumann, Julia, Réocreux, Romain et al.2026 · 8 citationsJournal of the American Chemical Society. 2024
Chemically accurate predictions for water adsorption on Brønsted sites of zeolite H-MFI.39230957 · Windeck, Henning, Berger, Fabian, Sauer, Joachim2024 · 15 citationsPhysical chemistry chemical physics : PCCP. 2024;26(36):23588-23599
Cooperative CO capture via oxalate formation on metal-decorated graphene2406.03795v1 · Inioluwa Christianah Popoola, Benjamin Xu Shi, Fabian Berger et al.2024 · 1 citationPhys. Rev. Materials 9, 015401 (2025)
Spectroscopic Signatures of Internal Hydrogen Bonds of Brønsted-Acid Sites in the Zeolite H-MFI.37159109 · Windeck, Henning, Berger, Fabian, Sauer, Joachim2023 · 36 citationsAngewandte Chemie (International ed. in English). 2023;62(25):e202303204
Dimerization of Linear Butenes and Pentenes in an Acidic Zeolite (H-MFI).33314606 · Berger, Fabian, Sauer, Joachim2024 · 26 citationsAngewandte Chemie (International ed. in English). 2021;60(7):3529-3533
Proton-Gated Ring-Closure of a Negative Photochromic Azulene-Based Diarylethene.33439528 · Hou, Ian Cheng-Yi, Berger, Fabian, Narita, Akimitsu et al.2024 · 71 citationsAngewandte Chemie (International ed. in English). 2020;59(42):18532-18536
Donor-Acceptor Dihydropyrenes Switchable with Near-Infrared Light.32476422 · Klaue, Kristin, Han, Wenjie, Liesfeld, Pauline et al.2021 · 85 citationsJournal of the American Chemical Society. 2020;142(27):11857-11864
External Reversal of Chirality Transfer in Photoswitches.30513134 · Jurissek, Christoph, Berger, Fabian, Eisenreich, Fabian et al.2020 · 29 citationsAngewandte Chemie (International ed. in English). 2019;58(7):1945-1949
Gas-Phase Vibrational Spectroscopy of the Aluminum Oxide Anions (Al2 O3 )1-6 AlO2.28233405 · Song, Xiaowei, Fagiani, Matias R, Gewinner, Sandy et al.2018 · 17 citationsChemphyschem : a European journal of chemical physics and physical chemistry. 2017;18(8):868-872
Gas phase structures and charge localization in small aluminum oxide anions: Infrared photodissociation spectroscopy and electronic structure calculations.27369513 · Song, Xiaowei, Fagiani, Matias R, Gewinner, Sandy et al.2017 · 24 citationsThe Journal of chemical physics. 2016;144(24):244305
Career total: 43 works. 24 are in this corpus.
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