From owner-chemistry@ccl.net Wed Jun 11 02:31:01 2025 From: "Jaroslaw J. Panek jaroslaw.panek * uwr.edu.pl" To: CCL Subject: CCL: Reminder- Online Conference "From Theory to Application" 24-26.06.2025 Message-Id: <-55319-250611023003-6603-vepfPTurj87Jp3yfQOb9mA^^server.ccl.net> X-Original-From: "Jaroslaw J. Panek" Date: Wed, 11 Jun 2025 02:30:01 -0400 Sent to CCL by: "Jaroslaw J. Panek" [jaroslaw.panek^uwr.edu.pl] Dear CCL-ers, As a reminder, the Organizing Committee of the online conference "From Theory to Application. Wroclaw Meetings on Computational and Experimental Sciences", to be held between 24.06.2025 and 26.06.2025, invites you to join the event. THE REGISTRATION WILL CLOSE ON JUNE 15th. The first edition of this Conference, organized by the University of Wroclaw, Faculty of Chemistry, will be dedicated to discussing issues of theoretical and experimental chemistry, biochemistry and physics in the context of their applicability. The conference will consist of lectures and poster presentations (a part of the conference dedicated to young researchers, in the form of flash presentations for selected posters; participation is free of charge and we welcome poster presentations during registration). The following topics will be our main interest this year: * an application of computational approaches in drug design, * description of the electronic structure and its importance in the design of new compounds with specific physicochemical properties, * relationship between the structure and the practical application of the chemical compounds, * magnetic properties of compounds and their application in various areas of everyday life, * an application of artificial intelligence in science and the potential application of materials discovered for modern technologies and compounds exhibiting biological activity, * modern methods of modeling macro-systems, * are we able to design modern materials by in silico methods? The conference will take the form of a WEBINAR. It will have an open formula (participation is FREE of charge) for all interested parties. Please visit the website of the Conference for more details, including the programme, abstracts of the talks, and the registration form: https://makromol.uwr.edu.pl/en/ with kind regards, The Organizing Committee: Chair: Aneta Jezierska, Ph.D D.Sc Vice-chairs: Prof. Robert Wieczorek; Andrzej Kochel, Ph.D D.Sc.; Jaroslaw J. Panek, Ph.D D.Sc.; Karol Kulacz, Ph.D; Kamil Wojtkowiak Ph.D Contact: jaroslaw.panek-at-uwr.edu.pl From owner-chemistry@ccl.net Wed Jun 11 03:06:00 2025 From: "Johannes Margraf margraf(_)fhi-berlin.mpg.de" To: CCL Subject: CCL:G: Spreading of chemistry software compiled without code signing Message-Id: <-55320-250611024213-10573-xbBJ+2Wi7xLd7IABTkQ89Q#,#server.ccl.net> X-Original-From: Johannes Margraf Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=US-ASCII; format=flowed Date: Wed, 11 Jun 2025 08:42:00 +0200 MIME-Version: 1.0 Sent to CCL by: Johannes Margraf [margraf^^fhi-berlin.mpg.de] Sorry, but your analysis regarding Orca and Gaussian is way off base. It's absurd to claim that Orca is the product of some state funded strategy to suppress private enterprise. The methods and algorithms in both Orca and Gaussian emerged from publicly funded academic research. I think it's an absolutely positive outcome that Orca remains freely available for academic use. It's also funny that you bring up this strange conspiracy theory in the context of code signing, when Orca also suffers from this suppression (at least on Mac). On 2025-06-10 10:23, Grigoriy Zhurko reg_zhurko(~)chemcraftprog.com wrote: > Sent to CCL by: Grigoriy Zhurko [reg_zhurko{=}chemcraftprog.com] > Hello, > My program Chemcraft is compiled without code signing, and this > causes problems, in particular the Microsoft Defender SmartScreen > firstly shows a warning message when installing Chemcraft (the user > needs to click "More info" link and then press the button "Run > anyway"). I have explained this at Chemcraft download webpage: > > https://chemcraftprog.com/download.html > > Currently it is rather difficult for me to add the code signing to > Chemcraft. Now I am thinking: possibly it will be useful for others if > I keep the distribution unsigned, because this politics can help small > developers of chemistry software (usually freeware)? > As far as I can see, current politics of tightening the screws with > the code signing in the Western world is used for suppression of the > private enterprise, and it is a part of current trends like switching > from commercial Gaussian to state-funded ORCA, with the main goal to > keep the power and money of the 1% richest population (ruling class). > Sorry for such a political post here, but I hope that some people will > support my position. My point is that for many small developers of > scientific software (especially freeware) it is difficult to add code > signing to their programs, and because of that, if Chemcraft remains > unsigned, this will increase the chances that code signing will not > finally become obligatory, so common scientists will have more > possibilities of developing their own software. What do you think? > > Grigoriy Zhurko > https://chemcraftprog.com> To recover the email address of the author of the message, please > change-- Dr. Johannes Margraf Group Leader FHI Theory https://www.fhi.mpg.de/645847/margraf_group