Name Card

Full name Familienname, Vorname
Grüneis, Andreas
 
Main Affiliation Organisations­zuordnung
 

Own Publications Eigene Publikationen

Results 1-20 of 47 (Search time: 0.002 seconds).

PreviewAuthor(s)TitleTypeIssue Date
1Shi, Benjamin X ; Zen, Andrea ; Kapil, Venkat ; Nagy, Péter R ; Grüneis, Andreas ; Michaelides, Angelos Many-Body Methods for Surface Chemistry Come of Age: Achieving Consensus with ExperimentsArticle Artikel 10-Nov-2023
2Masios, Nikolaos ; Irmler, Andreas ; Schäfer, Tobias ; Grüneis, Andreas Averting the Infrared Catastrophe in the Gold Standard of Quantum ChemistryArticle Artikel 30-Oct-2023
3Salihbegović, Faruk ; Gallo, Alejandro ; Grüneis, Andreas Formation energies of silicon self-interstitials using periodic coupled cluster theoryArticle Artikel 12-Sep-2023
4Taheridehkordi, Amir ; Schlipf, Martin ; Sukurma, Zoran ; Humer, Moritz ; Grüneis, Andreas ; Kresse, Georg Phaseless auxiliary field quantum Monte Carlo with projector-augmented wave method for solidsArticle Artikel 28-Jul-2023
5Irmler, Andreas ; Kanakagiri, Raghavendra ; Ohlmann, Sebastian T. ; Solomonik, Edgar ; Grüneis, Andreas Optimizing Distributed Tensor Contractions Using Node-Aware Processor GridsInproceedings Konferenzbeitrag2023
6Grüneis, Andreas Challenges for massive parallel periodic coupled cluster theory calculationsPresentation Vortrag4-Oct-2022
7Zen, Andrea ; Grüneis, Andreas ; Alfè, Dario ; Rossi, Mariana Beyond GGA total energies for solids and surfacesArticle Artikel 5-Aug-2022
8Grüneis, Andreas CC theory for solidsPresentation Vortrag24-Jun-2022
9Salihbegović, Faruk ; Gallo, Alejandro ; Grüneis, Andreas Coupled cluster theory for the ground and excited states of two-dimensional quantum dotsArticle Artikel 15-Mar-2022
10Moerman, Evgeny ; Hummel, Felix ; Grüneis, Andreas ; Irmler, Andreas ; Scheffler, Matthias Interface to high-performance periodic coupled-clustertheory calculations with atom-centered, localized basisfunctionsArticle Artikel2022
11Pimon, Martin ; Grüneis, Andreas ; Mohn, Peter ; Schumm, Thorsten Ab-Initio Study of Calcium Fluoride Doped with Heavy IsotopesArticle Artikel 2022
12Gallo, Alejandro ; Hummel, Felix ; Irmler, Andreas ; Grüneis, Andreas A periodic equation-of-motion coupled-cluster implementation applied to F-centers in alkaline earth oxidesArtikel Article 2021
13Liao, Ke ; Shen, Tong ; Li, Xin-Zheng ; Alavi, Ali ; Grüneis, Andreas Structural and electronic properties of solid molecular hydrogen from many-electron theoriesArtikel Article 2021
14Irmler, Andreas ; Gallo, Alejandro ; Grüneis, Andreas Focal-point approach with pair-specific cusp correction for coupled-cluster theoryArtikel Article 2021
15Schäfer, Tobias ; Gallo, Alejandro ; Irmler, Andreas ; Hummel, Felix ; Grüneis, Andreas Surface science using coupled cluster theory via local Wannier functions and in-RPA-embedding: The case of water on graphitic carbon nitrideArtikel Article 2021
16Schäfer, Tobias ; Libisch, Florian ; Kresse, Georg ; Grüneis, Andreas Local embedding of Coupled Cluster theory into the Random Phase Approximation using plane-wavesArtikel Article 2021
17Nickerson, Brenden S. ; Pimon, Martin ; Bilous, Pavlo V. ; Gugler, Johannes ; Kazakov, Georgy A. ; Sikorsky, Tomas ; Beeks, Kjeld ; Grüneis, Andreas ; Schumm, Thorsten ; Pálffy, Adriana Driven electronic bridge processes via defect states in ²²⁹Th -doped crystalsArtikel Article 2021
18Mihm, Tina N. ; Schäfer, Tobias ; Ramadugu, Sai Kumar ; Weiler, Laura ; Grüneis, Andreas ; Shepherd, James J. A shortcut to the thermodynamic limit for quantum many-body calculations of metalsArtikel Article 2021
19Grüneis, Andreas Coupled Cluster Theory for Solids and SurfacesPräsentation Presentation2020
20Mayr-Schmölzer, Wernfried ; Planer, Jakub ; Redinger, Josef ; Grüneis, Andreas ; Mittendorfer, Florian Many-electron calculations of the phase stability of ZrO₂ polymorphsArtikel Article 2020

Contributing Publications Mitbeteiligte Publikationen

Results 1-5 of 5 (Search time: 0.001 seconds).

PreviewAuthor(s)TitleTypeIssue Date
1Martinez-Soria Gallo Alejandro Agustin - 2024 - On excited states for defects in...pdf.jpgMartinez-Soria Gallo, Alejandro Agustin On excited states for defects in solids using coupled cluster theoriesThesis Hochschulschrift 2024
2Schoenbauer Sita - 2023 - Phonon spectrum analysis using Gaussian process...pdf.jpgSchönbauer, Sita Phonon spectrum analysis using Gaussian process regressionThesis Hochschulschrift 2023
3Plaikner Thomas - 2023 - Efficient equation-of-motion coupled-cluster theory...pdf.jpgPlaikner, Thomas Efficient equation-of-motion coupled-cluster theory using low-rank factorizationThesis Hochschulschrift 2023
4Salihbegovic Faruk - 2023 - Coupled Cluster Theory Applied to Zero-Dimensional...pdf.jpgSalihbegovic, Faruk Coupled Cluster Theory Applied to Zero-Dimensional SystemsThesis Hochschulschrift 2023
5Tsatsoulis Theodoros - 2020 - Periodic quantum chemical methods for...pdf.jpgTsatsoulis, Theodoros Periodic quantum chemical methods for molecule-surface interactionsThesis Hochschulschrift 2020