Andreas Grüneis

13PUBLICATIONS
93CO-AUTHORS
Theoretical quantum chemistryMathematical aspects of general relativityFormal methods for softwareCondensed matter modelling and density functional theoryStatistical mechanics, physical combinatorics and mathematical aspects of condensed matter
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Publications (13)

|Jul 01, 2026
Machine-Learned Force Fields for Lattice Dynamics at Coupled-Cluster Level Accuracy.

|Jun 29, 2026
Connection between GW and Extended Coupled Cluster.

|Oct 29, 2025
Abinit 2025: New capabilities for the predictive modeling of solids and nanomaterials.

Matthieu J Verstraete, Joao Abreu, Guillaume E Allemand

|Oct 14, 2025
Understanding discrepancies in noncovalent interaction energies from wavefunction theories for large molecules.

Tobias Schäfer, Andreas Irmler, Alejandro Gallo

|Aug 13, 2025
An accurate and efficient framework for modelling the surface chemistry of ionic materials.

Benjamin X Shi, Andrew S Rosen, Tobias Schäfer

|Feb 04, 2025
Finite-Size Effects in Periodic EOM-CCSD for Ionization Energies and Electron Affinities: Convergence Rate and Extrapolation to the Thermodynamic Limit.

Evgeny Moerman, Alejandro Gallo, Andreas Irmler

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Frequent Collaborators

6 joint publications

Tobias Schäfer

5 joint publications

Andreas Irmler

3 joint publications

Andrea Zen

3 joint publications

Alejandro Gallo