From owner-chemistry@ccl.net Tue Nov  2 06:55:01 2021
From: "Alfredo Mayall Simas simas(!)ufpe.br" <owner-chemistry-.-server.ccl.net>
To: CCL
Subject: CCL: Lanthanide complexes: Complex Build Software released
Message-Id: <-54485-211102065352-23895-+rWKkXBrzPIeh0pjOJhYaw-.-server.ccl.net>
X-Original-From: "Alfredo Mayall Simas" <simas*ufpe.br>
Date: Tue, 2 Nov 2021 06:53:49 -0400


Sent to CCL by: "Alfredo Mayall Simas" [simas(~)ufpe.br]
Dear CCLers,

Just released: 
the Complex Build Software to generate input starting structures of lanthanide 
complexes, with stereochemical control, for quantum chemical calculations.

https://www.youtube.com/watch?v=Zvl4dkQZaxA

Free downloads and more details from:
https://complexbuild.sparkle.pro.br/

And here is the article explaining the algorithm:
https://www.nature.com/articles/s41598-021-99525-0

All comments and inquiries are welcome.
On behalf of the Complex Build team, 

Alfredo Mayall Simas


From owner-chemistry@ccl.net Tue Nov  2 18:49:01 2021
From: "Cheol Ho Choi cchoi(0)knu.ac.kr" <owner-chemistry+*+server.ccl.net>
To: CCL
Subject: CCL: NHISS2021: Light-Matter Interaction: Theory Meets Experiment
Message-Id: <-54486-211102184547-3222-rrb1XCxS3EEjkSALKc1l3A+*+server.ccl.net>
X-Original-From: "Cheol Ho  Choi" <cchoi]_[knu.ac.kr>
Date: Tue, 2 Nov 2021 18:45:42 -0400


Sent to CCL by: "Cheol Ho  Choi" [cchoi-.-knu.ac.kr]
Dear Colleague,

We cordially invite you to join the second conference in the New Horizons in the Scientific Software 
(NHISS) series that will be held on 22 - 25 November, 2021, on the beautiful island of Jeju, South Korea. 

Including two keynote speakers of Prof. Sason Shaik and Prof. Massimo Olivucci, more than 30 renowned 
speakers present their recent work.

The main theme of the conference will be Light-Matter Interaction: Theory Meets Experiment. However, 
the conference scope will be much broader and will encompass the topics related not only to excited 
electronic states, but also the chemical dynamics and chemical structure, catalysis, computational 
chemistry algorithms and software, to name just a few. 

Due to the current epidemiological situation (COVID-19) the conference will be held in the hybrid format 
combining the online and the offline presentations, which will be streamed online for free. You may join 
the streams by registering on the conference website https://www.edison.re.kr/web/nhiss/home . After 
registering at https://us02web.zoom.us/webinar/register/WN_9mNptH-rTIe2y4RKi5dz2g, you will receive 
a confirmation email containing information about joining the webinar.

I sincerely hope that you will be able to accept this invitation and look forward to welcoming you to the 
Conference!

With best wishes,


Cheol Ho Choi, on behalf of the organizing committee