From bosio at chalmers.se Tue Mar 9 16:53:56 2021 From: bosio at chalmers.se (Noemi Bosio) Date: Tue, 9 Mar 2021 15:53:56 +0000 Subject: [Chemicalphysicstheory] Theory meeting Wednesday 10th Message-ID: Hello everyone, Tomorrow at nine Alvaro will present to us his PhD defense. You?re welcome to join. Cheers, Noemi Hi there, Noemi Bosio is inviting you to a scheduled Zoom meeting. Join from PC, Mac, Linux, iOS or Android: https://chalmers.zoom.us/j/61626085860 Password: 358436 Or iPhone one-tap : Germany: +493056795800,,61626085860# or +496938079883,,61626085860# Or Telephone: If you have problems with +46 7 6692 0434 in Sweden please dial +46 8 4468 2488 instead. Dial(for higher quality, dial a number based on your current location): Germany: +49 30 5679 5800 or +49 69 3807 9883 or +49 695 050 2596 or +49 69 7104 9922 Meeting ID: 616 2608 5860 Password: 358436 International numbers available: https://chalmers.zoom.us/u/cc8WRXzGnW Or an H.323/SIP room system: H.323: 109.105.112.236 or 109.105.112.235 Meeting ID: 616 2608 5860 Password: 358436 SIP: 61626085860 at 109.105.112.236 or 61626085860 at 109.105.112.235 Password: 358436 -------------- next part -------------- An HTML attachment was scrubbed... URL: -------------- next part -------------- A non-text attachment was scrubbed... Name: not available Type: text/calendar Size: 2524 bytes Desc: not available URL: From henrik.gronbeck at chalmers.se Wed Mar 10 10:16:42 2021 From: henrik.gronbeck at chalmers.se (=?Windows-1252?Q?Henrik_Gr=F6nbeck?=) Date: Wed, 10 Mar 2021 09:16:42 +0000 Subject: [Chemicalphysicstheory] Theory meeting Wednesday 10th In-Reply-To: <6fcd9bbce02945fcb7da7eaf40823f53@chalmers.se> References: <6fcd9bbce02945fcb7da7eaf40823f53@chalmers.se> Message-ID: <7539587b0562437f92a617bf064f1a69@chalmers.se> https://chalmers.zoom.us/j/64885353056 (Passcode: 063074) https://chalmers.zoom.us/j/64885353056 (Passcode: 063074) https://chalmers.zoom.us/j/64885353056 (Passcode: 063074) ________________________________________ From: Noemi Bosio [bosio at chalmers.se] Sent: Tuesday, March 9, 2021 7:19 PM Required: Noemi Bosio; chemicalphysicstheory at lists.chalmers.se Subject: [Chemicalphysicstheory] Theory meeting Wednesday 10th When: Wehttps://chalmers.zoom.us/j/64885353056 (Passcode: 063074)dnesday, March 10, 2021 9:00 AM-10:00 AM. Where: https://chalmers.zoom.us/j/61626085860 Hello everyone, Tomorrow at nine Alvaro will present to us his PhD defense. You?re welcome to join. Cheers, Noemi Hi there, Noemi Bosio is inviting you to a scheduled Zoom meeting. Join from PC, Mac, Linux, iOS or Android: https://chalmers.zoom.us/j/61626085860 Password: 358436 Or iPhone one-tap : Germany: +493056795800,,61626085860# or +496938079883,,61626085860# Or Telephone: If you have problems with +46 7 6692 0434 in Sweden please dial +46 8 4468 2488 instead. Dial(for higher quality, dial a number based on your current location): Germany: +49 30 5679 5800 or +49 69 3807 9883 or +49 695 050 2596 or +49 69 7104 9922 Meeting ID: 616 2608 5860 Password: 358436 International numbers available: https://chalmers.zoom.us/u/cc8WRXzGnW Or an H.323/SIP room system: H.323: 109.105.112.236 or 109.105.112.235 Meeting ID: 616 2608 5860 Password: 358436 SIP: 61626085860 at 109.105.112.236 or 61626085860 at 109.105.112.235 Password: 358436 From henrik.gronbeck at chalmers.se Wed Mar 10 10:20:34 2021 From: henrik.gronbeck at chalmers.se (=?iso-8859-1?Q?Henrik_Gr=F6nbeck?=) Date: Wed, 10 Mar 2021 09:20:34 +0000 Subject: [Chemicalphysicstheory] new meeting In-Reply-To: References: Message-ID: <8668cab0a9ad4a68bc2be71ce69694a1@chalmers.se> https://chalmers.zoom.us/j/69532795174 (Passcode: 110041) From henrik.gronbeck at chalmers.se Thu Mar 11 17:45:42 2021 From: henrik.gronbeck at chalmers.se (=?iso-8859-1?Q?Henrik_Gr=F6nbeck?=) Date: Thu, 11 Mar 2021 16:45:42 +0000 Subject: [Chemicalphysicstheory] workshop Message-ID: <78ca66a7c23b42a498c1f595242d6081@chalmers.se> Hej! There is a workshop organized next week at DTU that could be be interesting to follow. I attach the program. The link: https://dtudk.zoom.us/j/61779980305?pwd=OGZ6My9OYzZZMWpNRDlEWSs0Z3pydz09 Henrik -------------- next part -------------- A non-text attachment was scrubbed... Name: WTAC_Workshop_schedule (1).pdf Type: application/pdf Size: 144381 bytes Desc: WTAC_Workshop_schedule (1).pdf URL: From heih at dtu.dk Mon Mar 15 09:01:30 2021 From: heih at dtu.dk (Heine Anton Hansen) Date: Mon, 15 Mar 2021 08:01:30 +0000 Subject: [Chemicalphysicstheory] link with password to the workshop at DTU In-Reply-To: <6f9ce8330b95481cbcae6068cd05f664@dtu.dk> References: <6f9ce8330b95481cbcae6068cd05f664@dtu.dk> Message-ID: ________________________________________ From: Heine Anton Hansen [heih at dtu.dk] Sent: Saturday, March 13, 2021 5:56 PM To: Henrik Gr?nbeck; BIKEESR at jiscmail.ac.uk; DTU Energi - ASM (ENRGK); FYS-list-CatTheory (FYS); FYS-list-CAMD (FYS) Subject: WTAC Lecture by Henrik Gr?nbeck When: Friday, March 19, 2021 9:00 AM-10:00 AM. Where: https://dtudk.zoom.us/j/61779980305?pwd=OGZ6My9OYzZZMWpNRDlEWSs0Z3pydz09 Virtual lecture by Prof. Henrik Gr?nbeck, Chalmers University, on modeling the catalytic activity of metal nanoparticles. This lecture is part of the virtual workshop Theoretical Approaches to NanoAlloy Catalysis (WTAC). The WTAC is a focused meeting of researchers working in the field of theoretical and computational simulation of catalytic properties and applications of nanostructured metal and metal oxide particles. The workshop will cover recent methodological developments in the field of Simulation of Catalysis by NanoAlloys and their practical implementation into computational tools such as software and codes which can be accessed by the community of researchers working in this field. Join Zoom Meeting https://dtudk.zoom.us/j/61779980305?pwd=OGZ6My9OYzZZMWpNRDlEWSs0Z3pydz09 Meeting ID: 617 7998 0305 Passcode: 909918 One tap mobile +4589883788,,61779980305#,,,,*909918# Denmark +4532701206,,61779980305#,,,,*909918# Denmark Dial by your location +45 89 88 37 88 Denmark +45 32 70 12 06 Denmark +45 32 71 31 57 Denmark +45 32 72 80 10 Denmark +45 32 72 80 11 Denmark +45 47 37 25 75 Denmark Meeting ID: 617 7998 0305 Passcode: 909918 Find your local number: https://dtudk.zoom.us/u/ckTEhV3D7 Join by SIP 61779980305 at 109.105.112.236 61779980305 at 109.105.112.235 Join by H.323 109.105.112.236 109.105.112.235 Meeting ID: 617 7998 0305 Passcode: 909918 Join by Skype for Business https://dtudk.zoom.us/skype/61779980305 The WTAC is organised by the BIKE project. This project has received funding from the European Union?s Horizon 2020 Research and Innovation programme under the Marie Sk?odowska-Curie Action ? International Training Network (MSCA-ITN), grant agreement 813748. -------------- next part -------------- A non-text attachment was scrubbed... Name: not available Type: text/calendar Size: 4087 bytes Desc: not available URL: From dietze at chalmers.se Mon Mar 22 09:55:36 2021 From: dietze at chalmers.se (Elisabeth Dietze) Date: Mon, 22 Mar 2021 08:55:36 +0000 Subject: [Chemicalphysicstheory] FW: [SNIC support #228584] KCK nodes Hebbe Message-ID: <86087A3D-5B88-4D4A-83A1-5988DEC1EE65@chalmers.se> Hej, just that you know that they will shut down parts of Hebbe during the next days. Elisabeth ?On 2021-03-22, 09:53, "Per Fahlberg via SNIC support" wrote: Hej. We had electrical problems this weekend, and one of the fuses for the incoming power needs to be replaced. This affects large parts of Hebbe. We need to drain the nodes in the affected racks and shut them down for repairs by an electrician. Regards Per Fahlberg On Mon Mar 22 09:38:53 2021, dietze at chalmers.se wrote: Hej!, I saw this morning that the KCK nodes on Hebbe are offline. (not so on Vera) Could you please give us a reason why this is the case? Many thanks and kind regards. Elisabeth Dietze From bosio at chalmers.se Wed Mar 24 09:44:06 2021 From: bosio at chalmers.se (Noemi Bosio) Date: Wed, 24 Mar 2021 08:44:06 +0000 Subject: [Chemicalphysicstheory] Theory meeting Friday 26th Message-ID: Hej, This Friday Elisabeth will give a presentation for our theory meeting. The title of the presentation is: ?Approximating adsorbate-adsorbate interactions in practice and consequences in modelling? You?re welcome to join! Hi there, Noemi Bosio is inviting you to a scheduled Zoom meeting. Join from PC, Mac, Linux, iOS or Android: https://chalmers.zoom.us/j/67140153013 Password: 312242 Or iPhone one-tap : Germany: +496971049922,,67140153013# or +493056795800,,67140153013# Or Telephone: If you have problems with +46 7 6692 0434 in Sweden please dial +46 8 4468 2488 instead. Dial(for higher quality, dial a number based on your current location): Germany: +49 69 7104 9922 or +49 30 5679 5800 or +49 69 3807 9883 or +49 695 050 2596 Meeting ID: 671 4015 3013 Password: 312242 International numbers available: https://chalmers.zoom.us/u/cc1RrgQxg2 Or an H.323/SIP room system: H.323: 109.105.112.236 or 109.105.112.235 Meeting ID: 671 4015 3013 Password: 312242 SIP: 67140153013 at 109.105.112.236 or 67140153013 at 109.105.112.235 Password: 312242 -------------- next part -------------- An HTML attachment was scrubbed... URL: -------------- next part -------------- A non-text attachment was scrubbed... Name: not available Type: text/calendar Size: 2638 bytes Desc: not available URL: From bosio at chalmers.se Wed Mar 24 09:53:05 2021 From: bosio at chalmers.se (Noemi Bosio) Date: Wed, 24 Mar 2021 08:53:05 +0000 Subject: [Chemicalphysicstheory] Errata Message-ID: <572BBC79-DF54-4E3D-AFBD-9A2F0B4AD6B1@chalmers.se> Hej, Unfortunately Elisabeth is sick, so she will actually not give the presentation this Friday. Cheers, Noemi -------------- next part -------------- An HTML attachment was scrubbed... URL: From bosio at chalmers.se Wed Mar 24 14:45:00 2021 From: bosio at chalmers.se (Noemi Bosio) Date: Wed, 24 Mar 2021 13:45:00 +0000 Subject: [Chemicalphysicstheory] Theory meeting Friday 26th Message-ID: <897c9ffbab424659b71ed6dec18baf59@chalmers.se> Hej, Alvaro will take over Elisabeth presentation for the Theory meeting. Title ?Semi-empirical gas-phase corrections from DFT calculations". You?re welcome to join. Cheers, Noemi https://chalmers.zoom.us/j/67140153013 Password: 312242 -------------- next part -------------- An HTML attachment was scrubbed... URL: -------------- next part -------------- A non-text attachment was scrubbed... Name: not available Type: text/calendar Size: 1718 bytes Desc: not available URL: From palvaro at chalmers.se Fri Mar 26 10:09:12 2021 From: palvaro at chalmers.se (Alvaro Posada Borbon) Date: Fri, 26 Mar 2021 09:09:12 +0000 Subject: [Chemicalphysicstheory] gas-phase corrections slides Message-ID: Hej all! I've uploaded the slides to the chalmers box Unni made for us. If you want to check the file, the box is found here https://chalmersuniversity.app.box.com Best regards, Alvaro Alvaro Posada-Borb?n PhD in Materials Science Chalmers University of Technology -------------- next part -------------- An HTML attachment was scrubbed... URL: From palvaro at chalmers.se Tue Mar 30 09:40:22 2021 From: palvaro at chalmers.se (Alvaro Posada Borbon) Date: Tue, 30 Mar 2021 07:40:22 +0000 Subject: [Chemicalphysicstheory] please dont use 2 kck vera node for next hour Message-ID: Hej all! I have to debug a calculation and I want to use the 2 kck nodes in vera. So I wanted to ask you to leave 2 kck nodes free in vera for the next hour (or two). Thank you all! I will let you know when I'm done :) A. Alvaro Posada-Borb?n PhD in Materials Science Chalmers University of Technology -------------- next part -------------- An HTML attachment was scrubbed... URL: