meeting2022
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meeting2022 [2022/05/09 20:02] – [Participants (please add yourself)] gosia | meeting2022 [2022/05/30 09:28] – [Wednesday June 1] visscher | ||
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==== Location ==== | ==== Location ==== | ||
- | to be announced | + | FKF Meeting Room (FKF Møderum |
+ | |||
+ | To get the SDU map link to the meeting room, type FKF in the search field at this link: [[https:// | ||
==== For new people ==== | ==== For new people ==== | ||
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- 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 | ||
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- Jan Brandejs, Toulouse | - Jan Brandejs, Toulouse | ||
- Johann Pototschnig, | - Johann Pototschnig, | ||
- | - Gosia Olejniczak, Warsaw | + | - Gosia Olejniczak, Warsaw |
---- | ---- | ||
==== Work tasks (please add tasks) ==== | ==== Work tasks (please add tasks) ==== | ||
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---- | ---- | ||
- | * 13:30 -- 17:30 Collaborative session | + | |
- | * 16:00 -- 17:00 | + | === ExaCorr discussions === |
+ | * 13:30 -- 14:00 (re)design considerations -- Lucas Visscher | ||
+ | * 14:00 -- 14.30 Exacorr updates -- Andre Gomes | ||
+ | * 14:30 -- 15.15 Programming environment for CC developments (formula generation, tensor libraries) -- Jan Brandejs | ||
+ | * 15.15 -- 17.30 Exacorr related programming/ | ||
+ | |||
+ | ---- | ||
+ | |||
+ | === Collaborative session | ||
+ | * 13:30 -- 17:30 For those not involved in ExaCorr. Joint papers, joint programming efforts | ||
==== Tuesday May 31 ==== | ==== Tuesday May 31 ==== | ||
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* 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 | + | * 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 === | ||
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=== 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 -- 17:30 Collaborative work. |
+ | * 14:30 - 16:00 MCSCF guided tour (HJJ, Martin, Trond) | ||
+ | |||
+ | === Meeting dinner === | ||
- | === Coupled Cluster in DIRAC === | + | |
- | | + | |
==== Wednesday June 1 ==== | ==== Wednesday June 1 ==== | ||
- | * 09:00 -- 09:30 | + | * 09:00 -- 09:30 Simplified installation (e.g. conda) -- 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 | ||
- | * 11:00 -- 11:30 | + | * 11:00 -- 11:30 Breit Term - A Classical Viewpoint -- Johann Pototschnig |
- | * 11:30 -- 12:00 | + | * 11:30 -- 12:00 |
=== Technical issues (discussion sessions) === | === Technical issues (discussion sessions) === | ||
- | * 13:30 -- 14:00 | + | * 13:30 -- 14:00 (*) Discussion - design patterns for handling real-space data (refactoring VISUAL module) - Gosia, if possible online |
* 14:00 -- 14:30 | * 14:00 -- 14:30 | ||
* 14:30 -- 15:00 | * 14:30 -- 15:00 | ||
=== Collaborative work === | === Collaborative work === | ||
- | * 15:00 -- 15:30 | + | * 15:00 -- 15:30 |
- | * 16:00 -- 17:30 Discussion about Dirac19 | + | * 16:00 -- 17:30 Discussion about Dirac23 |
- | + | ||
- | === 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.txt · Last modified: 2022/06/01 13:47 by visscher