Andreas Grüneis

TU Wien

Austria

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Articles (21)

An accurate and efficient framework for modelling the surface chemistry of ionic materials

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Year:

2025

Exploring the accuracy of the equation-of-motion coupled-cluster band gap of solids

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Year:

2025

Finite-Size Effects in Periodic EOM-CCSD for Ionization Energies and Electron Affinities: Convergence Rate and Extrapolation to the Thermodynamic Limit

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Year:

2025

Finite-Size Effects in Periodic EOM-CCSD for Ionization Energies and Electron Affinities: Convergence Rate and Extrapolation to the Thermodynamic Limit

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Year:

2025

Sampling the reciprocal Coulomb potential in finite anisotropic cells

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Year:

2024

Investigating the Basis Set Convergence of Diagrammatically Decomposed Coupled-Cluster Correlation Energy Contributions for the Uniform Electron Gas

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Year:

2024

Investigating the Basis Set Convergence of Diagrammatically Decomposed Coupled-Cluster Correlation Energy Contributions for the Uniform Electron Gas

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Year:

2024

Coupled cluster finite temperature simulations of periodic materials via machine learning

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Year:

2024

Coupled cluster finite temperature simulations of periodic materials via machine learning

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Year:

2024

CO adsorption on Pt(111) studied by periodic coupled cluster theory

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Year:

2024

Many-Body Methods for Surface Chemistry Come of Age: Achieving Consensus with Experiments

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Year:

2023

Beyond GGA total energies for solids and surfaces

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Year:

2022

Ab-Initio Study of Calcium Fluoride Doped with Heavy Isotopes

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Year:

2022

Interface to high-performance periodic coupled-cluster theory calculations with atom-centered, localized basis functions

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Year:

2022

Coupled cluster theory for the ground and excited states of two-dimensional quantum dots

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Year:

2022

Driven electronic bridge processes via defect states in Th-229-doped crystals

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Year:

2021

A periodic equation-of-motion coupled-cluster implementation applied to F-centers in alkaline earth oxides

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Year:

2021

Structural and electronic properties of solid molecular hydrogen from many-electron theories

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Year:

2021

Local embedding of coupled cluster theory into the random phase approximation using plane waves

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Year:

2021

A shortcut to the thermodynamic limit for quantum many-body calculations of metals

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Year:

2021

Focal-point approach with pair-specific cusp correction for coupled-cluster theory

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Year:

2021

Collaborators (10)

Tobias Schäfer

Vienna University of Technology

AUSTRIA

Andrew Rosen

Assistant Professor

Princeton University

UNITED STATES

Thorsten Schumm

TU Wien

AUSTRIA

Martin Pimon

TU Wien

AUSTRIA

Dario Alfe`

Professore di Fisica della Materia

ITALY

Alejandro Gallo

Universität Wien

AUSTRIA

Andrea Zen

Università degli Studi di Napoli Federico II

ITALY

Florian Libisch

TU Wien

AUSTRIA

Angelos Michaelides

University College London

UNITED KINGDOM

Georg Kresse

Universität Wien

AUSTRIA

Andreas Grüneis

Research Interests

Explore related searches

Contact this professor

Articles (21)

An accurate and efficient framework for modelling the surface chemistry of ionic materials

Exploring the accuracy of the equation-of-motion coupled-cluster band gap of solids

Finite-Size Effects in Periodic EOM-CCSD for Ionization Energies and Electron Affinities: Convergence Rate and Extrapolation to the Thermodynamic Limit

Finite-Size Effects in Periodic EOM-CCSD for Ionization Energies and Electron Affinities: Convergence Rate and Extrapolation to the Thermodynamic Limit

Sampling the reciprocal Coulomb potential in finite anisotropic cells

Investigating the Basis Set Convergence of Diagrammatically Decomposed Coupled-Cluster Correlation Energy Contributions for the Uniform Electron Gas

Investigating the Basis Set Convergence of Diagrammatically Decomposed Coupled-Cluster Correlation Energy Contributions for the Uniform Electron Gas

Coupled cluster finite temperature simulations of periodic materials via machine learning

Coupled cluster finite temperature simulations of periodic materials via machine learning

CO adsorption on Pt(111) studied by periodic coupled cluster theory

Many-Body Methods for Surface Chemistry Come of Age: Achieving Consensus with Experiments

Beyond GGA total energies for solids and surfaces

Ab-Initio Study of Calcium Fluoride Doped with Heavy Isotopes

Interface to high-performance periodic coupled-cluster theory calculations with atom-centered, localized basis functions

Coupled cluster theory for the ground and excited states of two-dimensional quantum dots

Driven electronic bridge processes via defect states in Th-229-doped crystals

A periodic equation-of-motion coupled-cluster implementation applied to F-centers in alkaline earth oxides

Structural and electronic properties of solid molecular hydrogen from many-electron theories

Local embedding of coupled cluster theory into the random phase approximation using plane waves

A shortcut to the thermodynamic limit for quantum many-body calculations of metals

Focal-point approach with pair-specific cusp correction for coupled-cluster theory

Collaborators (10)

Tobias Schäfer

Andrew Rosen

Thorsten Schumm

Martin Pimon

Dario Alfe`

Alejandro Gallo

Andrea Zen

Florian Libisch

Angelos Michaelides

Georg Kresse

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