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meeting2019 [2019/05/17 11:03]
tsaue
meeting2019 [2019/05/28 13:20] (current)
tsaue [Tuesday May 28]
Line 67: Line 67:
   -   ​Miroslav Ilias, Banska Bystrica   -   ​Miroslav Ilias, Banska Bystrica
   -   ​Michal Repisky, Tromsø   -   ​Michal Repisky, Tromsø
-  -   Erik Hedegård, Lund +  -   Erik Hedegård, Lund (from 25.05 to 27.05 evening). 
-  -   Joel Creutzberg, Lund+  -   Joel Creutzberg, Lund (from 25.05 to 28.05 evening)
   - Johann Pototschnig,​ Amsterdam   - Johann Pototschnig,​ Amsterdam
-  - Timo Fleig, Toulouse+  - Timo Fleig, Toulouse ​[ill, can not come]
   - Anna Kristina Schnack-Petersen,​ Copenhagen   - Anna Kristina Schnack-Petersen,​ Copenhagen
   - Sasan Moradi, Iran   - Sasan Moradi, Iran
   - Gosia Olejniczak, Warsaw   - Gosia Olejniczak, Warsaw
 +  - Erik Kjellgren, Odense
 +  - Peter Reinholdt, Odense
 +  - Eugene Gvozdetsky, Amsterdam
 +  - Elke Fasshauer (tuesday afternoon)
 ---- ----
 ==== Work tasks (please add tasks) ==== ==== Work tasks (please add tasks) ====
Line 115: Line 119:
 === Science with DIRAC === === Science with DIRAC ===
  
-  * 09:00 -- 09:30 Andre Gomes - Partition ​EOM-CC +  * 09:00 -- 09:30 Loïc Halbert / Andre Gomes - Approximate ​EOM-CCSD 
-  * 09:30 -- 10:00 Pi Haase Finite field results for hyperfine constants with CC and FSCC+  * 09:30 -- 10:00 Joel Creutzberg ​TBA
   * 10:00 -- 10:30 Marta L. Vidal - CVS-EOM-CC to Study X-Ray Spectroscopy   * 10:00 -- 10:30 Marta L. Vidal - CVS-EOM-CC to Study X-Ray Spectroscopy
   * 10:30 -- 11:00 coffee break   * 10:30 -- 11:00 coffee break
-  * 11:00 -- 11:30 Stan Papadopoulos ​Coupled Cluster with ExaTensor/​TALSH+  * 11:00 -- 11:30 Miroslav Iliaš ​Theoretical Study of Molecular and Adsorption Properties of Group 6, 7 and 8 Heavy and Super-heavy Metal Carbonyls ​
   * 11:30 -- 12:00 Johann Pototschnig - Towards Coupled Cluster for Lanthanides   * 11:30 -- 12:00 Johann Pototschnig - Towards Coupled Cluster for Lanthanides
    
Line 126: Line 130:
   * 12:10 -- 13:30   * 12:10 -- 13:30
  
-=== Technical issues ​(discussion sessions) === +=== Science with DIRAC (afternoon)===
- +
-  * 13:30 -- 14:30 Use of BLAS/LAPACK (technical / licensing issues) +
-  * 14:30 -- 15:00  +
-  * 15:00 -- 15:30  +
-  * 15:30 -- 16:00 Break+
  
 +  * 13:30 -- 14:00 Stan Papadopoulos - Coupled-Cluster with ExaTENSOR/​TAL-SH
 +  * 14:00 -- 17:30 Collaborative work.
  
 === Coupled Cluster in DIRAC === === Coupled Cluster in DIRAC ===
   * 16:00 -- 17:00 Discussion on synchronizing our efforts (Avijit Shee also joins via skype)   * 16:00 -- 17:00 Discussion on synchronizing our efforts (Avijit Shee also joins via skype)
  
-=== Meeting dinner ​===+==== Tuesday May 28 ====
  
-  * 18:30 Dinner ​+  * 09:00 -- 09:30 "​Molecular calculations with effective QED potentials",​ Ayaki Sunaga 
 +  * 09:30 -- 10:00 "​Free-particles and charge conjugation in the finite basis approximation",​ Maen Salman 
 +  * 10:00 -- 10.30 "From the Dirac equation to QED:, Alexander Efremov 
 +  * 11:00 -- 11:30 "​Visualization in chemistry - the Topological Data Analysis perspective",​ Gosia Olejniczak 
 +  * 11:30 -- 12:00 "​Finite field results for hyperfine constants with CC and FSCC", Pi Haase
  
-==== Tuesday May 28 ====+=== Technical issues (discussion sessions) ​===
  
-  * 09:00 -- 09:30 "T-violating weak interaction in closed-shell atoms",​ Timo Fleig +  * 13:30 -- 14:00 Use of BLAS/LAPACK (technical / licensing issues) 
-  * 09:30 -- 10:00 "​Molecular calculations with effective QED potentials",​ Ayaki Sunaga +  * 14:00 -- 14:30 Open scienceopen source, and DIRAC (Radovan) 
-  * 10:00 -- 10.30 "​Free-particles and charge conjugation in the finite basis approximation",​ Maen Salman +  * 14:30 -- 15:00 Parselglossy:​ Generic input parsing library, speaking in tongues (Radovan)
-  * 11:00 -- 11:30 "From the Dirac equation to QED:Alexander Efremov +
-  * 11:30 -- 12:00 +
  
-  ​13:30 -- 14:00  +=== Collaborative work === 
-  * 14:00 -- 17:30 Collaborative work.+  ​15:00 -- 15:30 Skype session with Dmitry Lyakh about Incite (PIs for this) 
 +  * 15:00 -- 15:30 Break (others) 
 + 
 + 
 +  * 16:00 -- 17:30 Discussion about Dirac19 release
    
 +=== Meeting dinner ===
 +
 +  * 19:00 Dinner at [[https://​stormspakhus.dk/​en/​|Storms Pakhus]] (close to the railway station)
  
 ==== Wednesday May 29 ==== ==== Wednesday May 29 ====
  
   * 09:00 -- 17:30 Collaborative session (joint papers, joint programming efforts). ​   * 09:00 -- 17:30 Collaborative session (joint papers, joint programming efforts). ​
meeting2019.1558083823.txt.gz · Last modified: 2019/05/17 11:03 by tsaue