********************************************************************* [分子科学会速報24-082] OF-DFTに関する国際会議 ********************************************************************* 速報発信者：ドーソンウィリアム（国立研究開発法人理化学研究所 計算科学研究センター） OF-DFTに関する国際会議 分子科学会の皆様 このMLをお借りして、Orbital-free密度汎関数理論に関する国際会議 「Towards Routine Orbital-free Large-Scale Quantum-Mechanical Modelling of Materials」の案内を下記の通りさせていただきます。 （既に重複して受け取られている方は御容赦下さい） https://www.birs.ca/events/2024/5-day-workshops/24w5171 オンラインでの参加をご希望の方は、Sergei Manzhos manzhos.s.aa@m.titech.ac.jp までご連絡ください。 皆様のご参加を歓迎いたします **** Dear colleagues, I would like to bring to your attention the upcoming BIRS-sponsored workshop "Towards Routine Orbital-free Large-Scale Quantum-Mechanical Modelling of Materials" that will be held in Hangzhou, China, on Sept 8-13, 2024. The website of the workshop is https://www.birs.ca/events/2024/5-day-workshops/24w5171 where the program / speakers / organizers can also be viewed. The workshop is aimed to bring together OF-DFT developers, researchers working in different fields such as machine learning, large-scale electronic structure methods, electron density analysis, as well as applications where OF-DFT capabilities are needed or where OF-DFT in its current state can already be more used in applications. The topics covered include: - core OF-DFT - machine learning for OF-DFT - property calculations with OF-DFT including time-dependent OF-DFT - applications in need of OF-DFT - other / competing large-scale methods and alternative OF-DFT formulations - QTAIM/QCT connection While all presentations are invited, we would like to open the sessions for attendance by Zoom as the workshop is hybrid (the in-person presentations will also be broadcast via Zoom). Registration is required to attend Zoom sessions. If you are interested to attend remotely any of the talks, please send an email to Sergei Manzhos of Tokyo Tech (manzhos.s.aa@m.titech.ac.jp) or to other organizers. Please bring this to the attention of your students / postdocs interested in the above topics. Best regards on behalf of the organizing committee ********************************************************************* 分子科学会速報 発行：分子科学会 https://www.molsci.jp/ 速報投稿規程等は下記をご覧下さい。 https://www.molsci.jp/activities/bulletin/regulation/ ********************************************************************* ＋＋＋ Leading Innovations; FT-IR, FT-NIR and Raman ＋＋＋ ブルカージャパン株式会社 オプティクス事業部 >>> marketing.bopt.jp@bruker.com *********************************************************************