Andreas Grüneis

ResearcherID ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2019-2024
Publications (10 Years): 12

Top Topics

Density Functional Theory

Electron Transfer

Computed Tomography

Top Venues

Journal of chemical theory and computation

Faraday discussions

Nature computational science

The Journal of chemical physics

This page only lists publications with an associated author ORCID identifier.

Publications

Nikolaos Masios, Felix Hummel, Andreas Grüneis, Andreas Irmler
Investigating the Basis Set Convergence of Diagrammatically Decomposed Coupled-Cluster Correlation Energy Contributions for the Uniform Electron Gas. Journal of chemical theory and computation (2024)
Johanna P Carbone, Andreas Irmler, Alejandro Gallo, Tobias Schäfer, William Z Van Benschoten, James J Shepherd, Andreas Grüneis
CO adsorption on Pt(111) studied by periodic coupled cluster theory. Faraday discussions (2024)
Nikolaos Masios, Felix Hummel, Andreas Grüneis, Andreas Irmler
Investigating the Basis Set Convergence of Diagrammatically Decomposed Coupled-Cluster Correlation Energy Contributions for the Uniform Electron Gas. Journal of chemical theory and computation 20 (14) (2024)
Nikolaos Masios, Felix Hummel, Andreas Grüneis, Andreas Irmler
Investigating the Basis Set Convergence of Diagrammatically Decomposed Coupled-Cluster Correlation Energy Contributions for the Uniform Electron Gas. Journal of chemical theory and computation 20 (14) (2024)
Nikolaos Masios, Felix Hummel, Andreas Grüneis, Andreas Irmler
Investigating the Basis Set Convergence of Diagrammatically Decomposed Coupled-Cluster Correlation Energy Contributions for the Uniform Electron Gas. Journal of chemical theory and computation 20 (14) (2024)
Johanna P Carbone, Andreas Irmler, Alejandro Gallo, Tobias Schäfer, William Z Van Benschoten, James J Shepherd, Andreas Grüneis
CO adsorption on Pt(111) studied by periodic coupled cluster theory. Faraday discussions (2024)
Johanna P Carbone, Andreas Irmler, Alejandro Gallo, Tobias Schäfer, William Z Van Benschoten, James J Shepherd, Andreas Grüneis
CO adsorption on Pt(111) studied by periodic coupled cluster theory. Faraday discussions (2024)
Benjamin X Shi, Andrea Zen, Venkat Kapil, Péter R Nagy, Andreas Grüneis, Angelos Michaelides
Many-Body Methods for Surface Chemistry Come of Age: Achieving Consensus with Experiments. Journal of the American Chemical Society (2023)
Andrea Zen, Andreas Grüneis, Dario Alfè, Mariana Rossi
Beyond GGA total energies for solids and surfaces. The Journal of chemical physics 157 (5) (2022)
Tina N Mihm, Tobias Schäfer, Sai Kumar Ramadugu, Laura Weiler, Andreas Grüneis, James J Shepherd
A shortcut to the thermodynamic limit for quantum many-body calculations of metals. Nature computational science 1 (12) (2021)
Tina N Mihm, Tobias Schäfer, Sai Kumar Ramadugu, Laura Weiler, Andreas Grüneis, James J Shepherd
A shortcut to the thermodynamic limit for quantum many-body calculations of metals. Nature computational science 1 (12) (2021)
Andreas Irmler, Andreas Grüneis
Particle-particle ladder based basis-set corrections applied to atoms and molecules using coupled-cluster theory. The Journal of chemical physics 151 (10) (2019)