Andreas Grüneis
Technische Universität Wien
H-index: 32
Europe-Austria
Top articles of Andreas Grüneis
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Coupled cluster finite temperature simulations of periodic materials via machine learning | npj Computational Materials | Basile Herzog Alejandro Gallo Felix Hummel Michael Badawi Tomáš Bučko | 2024/4/4 |
Coupled-Cluster Treatment of Complex Open-Shell Systems: The Case of Single-Molecule Magnets | Maristella Alessio Garrette Pauley Paran Cansu Utku Andreas Grueneis Thomas-C Jagau | 2024/3/15 | |
Investigating the basis set convergence of diagrammatically decomposed coupled-cluster correlation energy contributions for the uniform electron gas | arXiv preprint arXiv:2402.15907 | Nikolaos Masios Felix Hummel Andreas Grüneis Andreas Irmler | 2024/2/24 |
Sampling the reciprocal Coulomb potential in finite anisotropic cells | The Journal of Chemical Physics | Tobias Schäfer William Z Van Benschoten James J Shepherd Andreas Grüneis | 2024/2/7 |
Many-Body Methods for Surface Chemistry Come of Age: Achieving Consensus with Experiments | Journal of the American Chemical Society | Benjamin X Shi Andrea Zen Venkat Kapil Péter R Nagy Andreas Grüneis | 2023/11/10 |
Averting the infrared catastrophe in the gold standard of quantum chemistry | Physical Review Letters | Nikolaos Masios Andreas Irmler Tobias Schäfer Andreas Grüneis | 2023/10/30 |
Formation energies of silicon self-interstitials using periodic coupled cluster theory | Physical Review B | Faruk Salihbegović Alejandro Gallo Andreas Grüneis | 2023/9/12 |
Optimizing Distributed Tensor Contractions Using Node-Aware Processor Grids | Andreas Irmler Raghavendra Kanakagiri Sebastian T Ohlmann Edgar Solomonik Andreas Grüneis | 2023/8/24 | |
Phaseless auxiliary field quantum Monte Carlo with projector-augmented wave method for solids | The Journal of chemical physics | Amir Taheridehkordi Martin Schlipf Zoran Sukurma Moritz Humer Andreas Grüneis | 2023/7/28 |
Ab-Initio Study of Calcium Fluoride Doped with Heavy Isotopes | Crystals | Martin Pimon Andreas Grüneis Peter Mohn Thorsten Schumm | 2022/8/11 |
Beyond GGA total energies for solids and surfaces | Andrea Zen Andreas Grüneis Dario Alfè Mariana Rossi | 2022/8/7 | |
Coupled cluster theory for the ground and excited states of two-dimensional quantum dots | Physical Review B | Faruk Salihbegović Alejandro Gallo Andreas Grüneis | 2022/3/8 |
Local embedding of coupled cluster theory into the random phase approximation using plane waves | The Journal of Chemical Physics | Tobias Schäfer Florian Libisch Georg Kresse Andreas Grüneis | 2021/1/7 |
Real-space visualization of quasiparticle dephasing near the Planckian limit in the Dirac line node material ZrSiS | arXiv preprint arXiv:2110.11125 | Qingyu He Lihui Zhou Andreas W Rost Dennis Huang Andreas Grüneis | 2021/10/21 |
Focal-point approach with pair-specific cusp correction for coupled-cluster theory | The Journal of Chemical Physics | Andreas Irmler Alejandro Gallo Andreas Grüneis | 2021/6/21 |
Driven electronic bridge processes via defect states in -doped crystals | Physical Review A | Brenden S Nickerson Martin Pimon Pavlo V Bilous Johannes Gugler Georgy A Kazakov | 2021/5/24 |
Structural and electronic properties of solid molecular hydrogen from many-electron theories | Physical Review B | Ke Liao Tong Shen Xin-Zheng Li Ali Alavi Andreas Grüneis | 2021/2/19 |
Surface science using coupled cluster theory via local Wannier functions and in-RPA-embedding: the case of water on graphitic carbon nitride | The Journal of Chemical Physics | Tobias Schäfer Alejandro Gallo Andreas Irmler Felix Hummel Andreas Grüneis | 2021/12/28 |
A periodic equation-of-motion coupled-cluster implementation applied to F-centers in alkaline earth oxides | The Journal of Chemical Physics | Alejandro Gallo Felix Hummel Andreas Irmler Andreas Grüneis | 2021/2/14 |
A shortcut to the thermodynamic limit for quantum many-body calculations of metals | Nature Computational Science | Tina N Mihm Tobias Schäfer Sai Kumar Ramadugu Laura Weiler Andreas Grüneis | 2021/12/16 |
Co-Authors
