meeting2022
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meeting2022 [2022/03/22 10:15] – tsaue | meeting2022 [2022/05/31 09:11] – [Tuesday May 31] 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 | + | - Ayaki Sunaga, Kyoto (online) |
- Andre Gomes, Lille | - Andre Gomes, Lille | ||
- Xiang Yuan, Lille | - Xiang Yuan, Lille | ||
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- Maen Salman, Toulouse | - Maen Salman, Toulouse | ||
- Jan Brandejs, Toulouse | - Jan Brandejs, Toulouse | ||
- | - Johann | + | - Johann |
+ | - Gosia Olejniczak, Warsaw (online) | ||
+ | - Stefan Knecht (online) | ||
---- | ---- | ||
==== Work tasks (please add tasks) ==== | ==== Work tasks (please add tasks) ==== | ||
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---- | ---- | ||
- | * 13:30 -- 17:30 Collaborative session (joint papers, joint programming efforts). Make your own planning for this. If you have no collaborative efforts there is always quite some work to do on issues fixing and documentation. | ||
- | * 16:00 -- 17:00 | ||
- | ==== Tuesday May 21 ==== | + | === 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 : make your own planning for this. If you have no collaborative efforts there is always quite some work to do on issues fixing and documentation. | ||
+ | |||
+ | |||
+ | ==== Tuesday May 31 ==== | ||
=== Science with DIRAC === | === Science with DIRAC === | ||
- | * 09:00 -- 09:30 The Generalized Velocity Representation | + | * 09:00 -- 09:30 Basis Set Requirements of Non-Dipolar Effects |
- | * 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 -- 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:// | ||
==== 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) |
- | * 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 -- 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 Dirac19 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.txt · Last modified: 2022/06/01 13:47 by visscher