Fabian Pauly

Full Professor

University of Augsburg

Germany

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Fabian Pauly is a Full Professor at the University of Augsburg in Germany. His research focuses on Density Functional Theory, molecular junctions, and the thermoelectric properties of molecular systems. Among his recent articles, he has explored topics such as quantum interference, phonon heat transport, and relativistic effects in periodic systems. He is also involved in the development of computational methods and tools like TURBOMOLE for advanced molecular and periodic systems analysis.

Articles (20)

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2025

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2022

Collaborators (10)

Shen Yan

University of Michigan

UNITED STATES

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Sonia Coriani

Professor

Technical University of Denmark

DENMARK

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Juan Carlos Cuevas

Profesor Titular (Associate professor)

Universidad Autónoma de Madrid

SPAIN

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Gert-Ludwig Ingold

GERMANY

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Josefine Hvarregaard Andersen

KTH Royal Institute of Technology

SWEDEN

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Edgar Meyhofer

Professor

University of Michigan

UNITED STATES

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Tim Schrader

Friedrich Schiller University Jena

GERMANY

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Ansgar Pausch

NETHERLANDS

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Elke Scheer

Professor of Experimental Physics

University of Konstanz

GERMANY

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Christian Ast

Max Planck Institute

GERMANY

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Fabian Pauly

Research Interests

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About

Articles (20)

Density Functional Theory for Molecular and Periodic Systems in TURBOMOLE: Theory, Implementation, and Applications

Revealing Molecule-Internal Mechanisms that Control Phonon Heat Transport through Single-Molecule Junctions by a Genetic Algorithm

Classifying destructive quantum interference in molecular junctions: Toward molecular quantum rulers

How substituents tune quantum interference in meta-OPE3 molecular junctions to control thermoelectric transport

Efficient treatment of relativistic effects with periodic density functional methods: Energies, gradients, and stress tensors

Benchmarking break-junction techniques: electric and thermoelectric characterization of naphthalenophanes

Mechanoelectric sensitivity reveals destructive quantum interference in single-molecule junctions

Fully Reprogrammable 2D Array of Multistate Molecular Switching Units

Simulating bistable current-induced switching of metallic atomic contacts by electron-vibration scattering

Designing mechanosensitive molecules from molecular building blocks: A genetic algorithm-based approach

Single-molecule conductance studies on quasi- and metallaaromatic dibenzoylmethane coordination compounds and their aromatic analogs

TURBOMOLE: Today and Tomorrow

Electrical Conductance and Thermopower of β-Substituted Porphyrin Molecular Junctions─Synthesis and Transport

Phononic heat conductance of gold atomic contacts: Coherent versus incoherent transport

Phonon-assisted carrier cooling in h -BN/graphene van der Waals heterostructures

Quantum-correlated photons generated by nonlocal electron transport

Quantum-correlated photons generated by nonlocal electron transport

Extracting transport channel transmissions in scanning tunneling microscopy using superconducting excess current

Extracting transport channel transmissions in scanning tunneling microscopy using superconducting excess current

Structural Asymmetry of Metallic Single-Atom Contacts Detected by Current–Voltage Characteristics

Collaborators (10)

Shen Yan

Sonia Coriani

Juan Carlos Cuevas

Gert-Ludwig Ingold

Josefine Hvarregaard Andersen

Edgar Meyhofer

Tim Schrader

Ansgar Pausch

Elke Scheer

Christian Ast

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