CC4SOL - towards chemical accuracy in computational materials science

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Primary Data

Project Acronym Projekt Kurzbezeichnung
CC4SOL
 
Project Title (de) Projekttitel (de)
CC4SOL - towards chemical accuracy in computational materials science
 
Project Title (en) Projekttitel (en)
CC4SOL - towards chemical accuracy in computational materials science
 
Consortium Coordinator Koordinator des Konsortiums
 
Principal Investigator Projektleiter_in
 

Grants

Funder/Funding Agency Fördergeber
European Commission
Grant number Förderkennnummer
715594
 

Publications

Results 1-8 of 8 (Search time: 0.002 seconds).

PreviewAuthor(s)TitleTypeIssue Date
1Masios, Nikolaos ; Hummel, Felix ; Grüneis, Andreas ; Irmler, Andreas Investigating the Basis Set Convergence of Diagrammatically Decomposed Coupled-Cluster Correlation Energy Contributions for the Uniform Electron GasArticle Artikel 23-Jul-2024
2Herzog, Basile ; Gallo, Alejandro ; Hummel, Felix ; Badawi, Michael ; Bučko, Tomáš ; Lebègue, Sébastien ; Grüneis, Andreas ; Rocca, Dario Coupled cluster finite temperature simulations of periodic materials via machine learningArticle Artikel 4-Apr-2024
3Shi, 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
4Salihbegović, Faruk ; Gallo, Alejandro ; Grüneis, Andreas Formation energies of silicon self-interstitials using periodic coupled cluster theoryArticle Artikel 12-Sep-2023
5Grüneis, Andreas Coupled-cluster theory for complex solids made readyInproceedings Konferenzbeitrag2023
6Grüneis, Andreas CC theory for solidsPresentation Vortrag24-Jun-2022
7Salihbegović, Faruk ; Gallo, Alejandro ; Grüneis, Andreas Coupled cluster theory for the ground and excited states of two-dimensional quantum dotsArticle Artikel 15-Mar-2022
8Moerman, Evgeny ; Hummel, Felix ; Grüneis, Andreas ; Irmler, Andreas ; Scheffler, Matthias Interface to high-performance periodic coupled-clustertheory calculations with atom-centered, localized basisfunctionsArticle Artikel2022