User Tools

Site Tools


meeting2022

Differences

This shows you the differences between two versions of the page.

Link to this comparison view

Both sides previous revisionPrevious revision
Next revision
Previous revision
meeting2022 [2022/05/17 12:19] – [Wednesday June 1] visschermeeting2022 [2022/06/01 13:47] (current) – [Participants (please add yourself)] visscher
Line 3: Line 3:
 ==== Location ==== ==== Location ====
  
-to be announced+FKF Meeting Room (FKF Møderum  Ø10-412-2) 
 + 
 +To get the SDU map link to the meeting room, type FKF in the search field at this link: [[https://clients.mapsindoors.com/sdu/573f26e4bc1f571b08094312/search?cat=meetingroom| SDU Møderum]] 
  
 ==== For new people ==== ==== For new people ====
Line 56: Line 59:
   -   Hans Jørgen Aa. Jensen, Odense   -   Hans Jørgen Aa. Jensen, Odense
   -   Trond Saue, Toulouse   -   Trond Saue, Toulouse
-  - Ayaki Sunaga, Kyoto (via hybrid, if possible)+  - Ayaki Sunaga, Kyoto (online)
   - Andre Gomes, Lille   - Andre Gomes, Lille
   - Xiang Yuan, Lille   - Xiang Yuan, Lille
Line 66: Line 69:
   - Jan Brandejs, Toulouse   - Jan Brandejs, Toulouse
   - Johann Pototschnig, Toulouse   - Johann Pototschnig, Toulouse
-  - Gosia Olejniczak, Warsaw+  - Gosia Olejniczak, Warsaw (online) 
 +  - Stefan Knecht (online) 
 +  - Lucas Visscher
 ---- ----
 ==== Work tasks (please add tasks) ==== ==== Work tasks (please add tasks) ====
Line 99: Line 104:
 === ExaCorr discussions === === ExaCorr discussions ===
    * 13:30 -- 14:00 (re)design considerations -- Lucas Visscher    * 13:30 -- 14:00 (re)design considerations -- Lucas Visscher
-   * 14:00 -- 14.30  +   * 14:00 -- 14.30 Exacorr updates -- Andre Gomes 
-   * 14.30 -- 17.30 Exacorr related programming/discussion tasks+   * 14:30 -- 15.15 Programming environment for CC developments (formula generation, tensor libraries) -- Jan Brandejs 
 +   * 15.15 -- 17.30 Exacorr related programming/discussion tasks
    
 ---- ----
Line 114: Line 120:
   * 09:00 -- 09:30 Basis Set Requirements of Non-Dipolar Effects - Martin van Horn   * 09:00 -- 09:30 Basis Set Requirements of Non-Dipolar Effects - Martin van Horn
   * 09:30 -- 10:00 Polarizable Embedding with the Relativistic Complex Polarization Propagator - Joel Creutzberg   * 09:30 -- 10:00 Polarizable Embedding with the Relativistic Complex Polarization Propagator - Joel Creutzberg
-  * 10:00 -- 10:30 +  * 10:00 -- 10:30 Relativistic effects on electronic pair densities: an intracule and extracule probability densities perspective - Mauricio Rodríguez-Mayorga
   * 10:30 -- 11:00 coffee break   * 10:30 -- 11:00 coffee break
-  * 11:00 -- 11:30  +  * 11:00 -- 11:30 ExaCorr updates: MP2 Frozen natural orbitals - Xiang Yuan 
-  * 11:30 -- 12:00 +  * 11:30 -- 12:00 Vacuum polarization correction to the Dirac theory - Maen Salman
    
 === Lunch  === === Lunch  ===
Line 125: Line 131:
 === Science with DIRAC (afternoon)=== === Science with DIRAC (afternoon)===
  
-  * 13:30 -- 14:00  +  * 13:30 -- 14:15 Discussion: Tailored CC -- Jan Brandejs (hybrid session with Jiri Pittner)  
-  * 14:00 -- 17:30 Collaborative work.+  * 14:30 -- 16:00 Collaborative work. 
 +      * 14:30 - 16:00 MCSCF guided tour (HJJ, Martin, Trond) 
  
-=== Coupled Cluster in DIRAC === +=== DIRAC release === 
-  * 16:00 -- 17:00 + 
 +  * 16:00 -- 17:30 Discussion about Dirac23 release.  
 + 
 +  
 +=== Meeting dinner === 
 + 
 +  * 19:45 Dinner at [[https://stormspakhus.dk/|Storms Pakhus]]
  
 ==== Wednesday June 1 ==== ==== Wednesday June 1 ====
  
-  * 09:00 -- 09:30  +  * 09:00 -- 09:30 Discuss simplified installation using Conda (or similar, e.g. Spack) -- Lucas Visscher 
-  * 09:30 -- 10:00  +  * 09:30 -- 10:00 Gitlab changes -- what do we need to do ? -- Lucas Visscher 
-  * 10:00 -- 10.30  +  * 10:00 -- 10.30 Discussion - design patterns for handling real-space data (refactoring VISUAL module) - Gosia (online); [[https://hackmd.io/@gosia/Bk25mkADc|Link to notes]] 
-  * 11:00 -- 11:30  +  * 11:00 -- 11:30 Breit Term - A Classical Viewpoint -- Johann Pototschnig 
-  * 11:30 -- 12:00 +  * 11:30 -- 12:00  IT-students in the DIRAC service -- Miro Iliaš (via Zoom)
  
 === Technical issues (discussion sessions) === === Technical issues (discussion sessions) ===
  
-  * 13:30 -- 14:00  +  * 13:30 -- 15:00 
-  * 14:00 -- 14:30  +
-  * 14:30 -- 15:00 +
 === Collaborative work === === Collaborative work ===
-  * 15:00 -- 15:30 +  * 15:00 -- 17:30 
-  * 16:00 -- 17:30 Discussion about Dirac23 release.  +
-  +
-=== Meeting dinner === +
- +
-  * 19:00 Dinner at ???+
  
 ==== Thursday June 2 ==== ==== Thursday June 2 ====
  
   * 09:00 -- 17:30 Collaborative session (joint papers, joint programming efforts).    * 09:00 -- 17:30 Collaborative session (joint papers, joint programming efforts). 
meeting2022.1652782776.txt.gz · Last modified: 2022/05/17 12:19 by visscher

Donate Powered by PHP Valid HTML5 Valid CSS Driven by DokuWiki