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Fabian Berger

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Assistant Research Professor

University of Cambridge

United Kingdom

Research Interests

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Recent Grants

Grant: Close

Postdoc: Exploring the Novel Material Class of Ternary Single Atom Alloys: From Fundamental Characterisation to Principles for Catalyst Design

Open Date: 2023-10-01

Close Date: 2025-09-01

Grant: Close

PhD: Investigation of Zeolite Reactivity and Method Development for Accurate Free Energy Calculations

Open Date: 2018-09-01

Close Date: 2021-12-01

Articles (17)

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Collaborators (15)

Andrew Rosen

Assistant Professor

Princeton University

UNITED STATES

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Mark Asta

Professor

University of California

UNITED STATES

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Ioan-Bogdan Magdău

Lecturer in Computational Chemistry

Newcastle University

UNITED KINGDOM

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Philipp Benner

Staff Scientist (Machine Learning) / Head of eScience Group

Federal Institute For Materials Research and Testing

GERMANY

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Kaido Sillar

University of Tartu

ESTONIA

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Yuan Chiang

University of California, Berkeley

UNITED STATES

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Romain Réocreux

Junior Professor

École Normale Supérieure - PSL

FRANCE

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Dario Alfe`

Professore di Fisica della Materia

ITALY

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Andrea Zen

Docenti di ruolo di IIa fascia

Università degli Studi di Napoli Federico II

ITALY

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Michail Stamatakis

University College London

UNITED KINGDOM

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James Kermode

Professor

University of Warwick

UNITED KINGDOM

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Tejs Vegge

Professor, Director at Technical University of Denmark

Technical University of Denmark

DENMARK

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Lukáš Grajciar

Charles University

CZECH REPUBLIC

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Angelos Michaelides

University College London

UNITED KINGDOM

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Christopher J. Heard

Charles University in Prague

CZECH REPUBLIC

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Fabian Berger

Research Interests

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Recent Grants

Articles (17)

Water Adsorption at Pairs of Proximate Brønsted Acid Sites in Zeolites

How Accurate Is DFT for Alkanes and Water Adsorbed in Acidic Zeolites?

Mechanisms for the formation of active sites in single-atom alloys

Atomistic Model for Water Adsorption in Mg-MOF-74: Quantum Chemical Prediction of Structures and Isotherms

CO2, N2 and H2 adsorption in Zn2+-containing zeolites and metal–organic frameworks

Interaction strength of carbon dioxide on graphene from periodic quantum diffusion Monte Carlo

A foundation model for atomistic materials chemistry

How accurate are DFT forces? Unexpectedly large uncertainties in molecular datasets

When Are Dopant <i>d</i>-States Free-Atom-Like? Periodic Trends and Confinement Effects in Single-Atom Alloys

Modeling Oxidative Dehydrogenation of Propane with Supported Vanadia Catalysts Using Multireference Methods

Cooperative CO2 capture via oxalate formation on metal-decorated graphene

Unexpected structural isomers of AlFe<sub>2</sub>O<sub>4</sub><sup>+</sup> and AlCo<sub>2</sub>O<sub>4</sub><sup>+</sup>: vibrational spectroscopy and ion mobility combined with quantum chemistry

Bringing Molecules Together: Synergistic Coadsorption at Dopant Sites of Single Atom Alloys

Azobenzene isomerization on a reactive copper surface by efficient decoupling with bulky side groups

Chemically accurate predictions for water adsorption on Brønsted sites of zeolite H-MFI

Spectroscopic Signatures of Internal Hydrogen Bonds of Brønsted‐Acid Sites in the Zeolite H‐MFI

Molecular Dynamics with Chemical Accuracy─Alkane Adsorption in Acidic Zeolites

Collaborators (15)

Andrew Rosen

Mark Asta

Ioan-Bogdan Magdău

Philipp Benner

Kaido Sillar

Yuan Chiang

Romain Réocreux

Dario Alfe`

Andrea Zen

Michail Stamatakis

James Kermode

Tejs Vegge

Lukáš Grajciar

Angelos Michaelides

Christopher J. Heard

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