meeting2018
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| meeting2018 [2018/05/18 14:05] – [Tuesday May 29] aspg | meeting2018 [2018/05/30 12:46] (current) – [Wednesday May 30] hjaaj | ||
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| * Loic Halbert, Lille | * Loic Halbert, Lille | ||
| * Yongliang Hao, Groningen | * Yongliang Hao, Groningen | ||
| - | * Andreas Nyvang, Århus | + | |
| + | * Gosia Olejniczak, Warsaw | ||
| + | | ||
| + | * Jeppe Olsen, Århus (Tuesday) | ||
| * Ayaki Sunaga, Toulouse | * Ayaki Sunaga, Toulouse | ||
| + | * Elke Fasshauer, Aarhus (Tuesday) | ||
| ---- | ---- | ||
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| * Arrival | * Arrival | ||
| - | * 19:00 [[http:// | + | * 19:00 [[http:// |
| ---- | ---- | ||
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| * 09:00 -- 09:30 The CAAR coupled cluster reimplementation. L. Visscher | * 09:00 -- 09:30 The CAAR coupled cluster reimplementation. L. Visscher | ||
| * 09:30 -- 10:00 EOMCC in Dirac, current status and future directions. A. Shee + A. Gomes | * 09:30 -- 10:00 EOMCC in Dirac, current status and future directions. A. Shee + A. Gomes | ||
| - | * 10:00 -- 10:30 Electronic structure and properties of MAu and MOH (M=Tl,Nh). M.Iliaš | + | * 10:00 -- 10:30 My brand new project - Jeppe |
| * 10:30 -- 11:00 coffee break | * 10:30 -- 11:00 coffee break | ||
| * 11:00 -- 11:40 Calculating spectra with DIRAC. Eugene Gvozdetsky + Martin van Horn | * 11:00 -- 11:40 Calculating spectra with DIRAC. Eugene Gvozdetsky + Martin van Horn | ||
| - | * 11:40 -- 12:10 Solvent effects on NMR shielding | + | * 11:40 -- 12:10 Electronic structure and properties |
| === Lunch === | === Lunch === | ||
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| * 15:00 -- 15:30 Code peer review. Experiences with the CI/CD set up and the available runners. | * 15:00 -- 15:30 Code peer review. Experiences with the CI/CD set up and the available runners. | ||
| * 15:30 -- 16:00 Break | * 15:30 -- 16:00 Break | ||
| - | * 16:00 -- 16:30 CI services | + | * 16:00 -- 16:30 Some technicalities |
| === Meeting dinner === | === Meeting dinner === | ||
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| * 09:00 -- 10:00 Start guess and SCF convergence - Luuk | * 09:00 -- 10:00 Start guess and SCF convergence - Luuk | ||
| - | * 10:00 -- 10.30 | + | * 10:00 -- 10.30 Beyond the electric dipole approximation: |
| - | * 11:00 -- 11:30 | + | * 11:00 -- 11:30 Magnetic properties visualized - Gosia |
| - | * 11:30 -- 12:00 | + | * 11:30 -- 12:00 Solvent effects on NMR shielding of molybdate ions via relativistic Frozen Density Embedding. Loic Halbert |
| - | * 13:30 -- 14:00 | + | * 13:30 -- 14:00 Something about CAAR, ORNL and non-orthogonal CI. Tjerk. |
| - | * 14:00 -- 14:30 | + | * 14:00 -- 17:30 Collaborative work. |
| - | * 14:30 -- 15:00 | + | |
| - | * 15:00 -- 15.30 | + | |
| ==== Thursday May 31 ==== | ==== Thursday May 31 ==== | ||
| * 09:00 -- 17:30 Collaborative session (joint papers, joint programming efforts). | * 09:00 -- 17:30 Collaborative session (joint papers, joint programming efforts). | ||
meeting2018.1526652318.txt.gz · Last modified: 2018/05/18 14:05 by aspg