From henrik.gronbeck at chalmers.se Thu Mar 9 11:10:53 2023 From: henrik.gronbeck at chalmers.se (=?iso-8859-1?Q?Henrik_Gr=F6nbeck?=) Date: Thu, 9 Mar 2023 10:10:53 +0000 Subject: [Chemicalphysicstheory] Theory meeting tomorrow Message-ID: <8d562da0df7e4b3784935c34cee33748@chalmers.se> Hej Everyone! Welcome to the Theory meeting tomorrow. Time: 9.00 Location: Nexus Presenter: Noemi Title: "Reaction orders for CO oxidation over Pt: Influence of reaction mechanism and adsorbate-adsorbate interactions" Henrik From henrik.gronbeck at chalmers.se Fri Mar 17 11:54:32 2023 From: henrik.gronbeck at chalmers.se (=?iso-8859-1?Q?Henrik_Gr=F6nbeck?=) Date: Fri, 17 Mar 2023 10:54:32 +0000 Subject: [Chemicalphysicstheory] FW: Mid-term seninar of Carl Frostenson, Monday 27/3, 13-14 i MC2 Fasrummet A820. In-Reply-To: <36e7db81-619c-5635-0846-9f2c74b98cec@chalmers.se> References: <63e63a64-f45e-bb62-3309-869f0ba8e465@chalmers.se>, <36e7db81-619c-5635-0846-9f2c74b98cec@chalmers.se> Message-ID: ________________________________________ From: Per Hyldgaard Sent: Friday, March 17, 2023 10:17 AM To: G?ran Wahnstr?m; Paul Erhart; Julia Wiktor; Anders Hellman; Martin Rahm; Itai Panas; Lars ?hrstr?m; Amir Malakizadi; Lars Nyborg; P?r Olsson; Johan Liu; P?r Strand; Christian Forss?n; Elsebeth Schr?der; Johan Liu; chalmers-mc2_bnsl; P?r Olsson; Mikael Fogelstr?m; Per Rudquist; Per Lundgren; Maria Asplund; Tomas L?fwander; Alexei Kalaboukhov; Dag Winkler; Floriana Lombardi; Riccardo Arpaia; Thilo Bauch; Janine Splettstoesser Cc: Per Hyldgaard; Carl Mikael Frostenson; Magnus Karlsson; Henrik Gr?nbeck Subject: Mid-term seninar of Carl Frostenson, Monday 27/3, 13-14 i MC2 Fasrummet A820. Dear all, Our MC2 graduate student Carl Frostenson holds his Ph.D. mid-term seminar, presenting parts of his Ph.D. thesis research, on Monday 27/3, from 13-14 in MC2 Fasrummet The title of his mid-term presentation is "Range-Separated Hybrid vdW-DFs for Simple Structures and Complex Systems" and I attach a flyer. His formal advisory team includes myself, Henrik Gr?nbeck as co-supervisor, and Magnus Karlsson as examinator. Carl is also working with P?r Olsson (MAU) and Jochen Rohrer (Darmstadt). The thesis include work to define and launch useful and robust range-separated hybrid vdW-DF and parameter-free vdW-DF-cx+U versions, testing of elastic, ferro-electric, and plastic response in polymers and their interfaces, implementation of stress-calculations in the proper spin vdW-DF, and broad validation checks on systems that are often sensitive to subtle charge-transfer effects. The main focus in this mid-term seminar is checking accuracy of our recent vdW-DF progress on bulk, in magnetic systems, and for a porous-system catalysis case. We hope that you might come and learn of our recent progress on high-accuracy functionals for modern truly nonlocal DFT. I also hope that you will circulate this flyer and invitation in your groups and that we may also see many masters and graduate students on Monday 27/3 at 13 in MC2 Fasrummet A820. Best regards Per Hyldgaard Main supervisor, MC2 -------------- next part -------------- A non-text attachment was scrubbed... Name: MidtermSeminarCarlFrostenson.pdf Type: application/pdf Size: 25246 bytes Desc: MidtermSeminarCarlFrostenson.pdf URL: From henrik.gronbeck at chalmers.se Thu Mar 23 22:36:42 2023 From: henrik.gronbeck at chalmers.se (=?iso-8859-1?Q?Henrik_Gr=F6nbeck?=) Date: Thu, 23 Mar 2023 21:36:42 +0000 Subject: [Chemicalphysicstheory] Defense instead of theory meeting on Friday Message-ID: Hej! The theory meeting tomorrow is replaced by the defense of Jojo (at 9.00). We will have a meeting with a presentation by Shivangi probably on Tuesday at 13.00. (Our booking system for rooms is not working and I have not yet got any confirmation for the room I booked.) Henrik From henrik.gronbeck at chalmers.se Sun Mar 26 20:29:00 2023 From: henrik.gronbeck at chalmers.se (=?iso-8859-1?Q?Henrik_Gr=F6nbeck?=) Date: Sun, 26 Mar 2023 18:29:00 +0000 Subject: [Chemicalphysicstheory] Theory meeting Tuesday In-Reply-To: <8d562da0df7e4b3784935c34cee33748@chalmers.se> References: <8d562da0df7e4b3784935c34cee33748@chalmers.se> Message-ID: <2a94a44d77e54e34bf2148a45b3345a7@chalmers.se> Hej Everyone! Welcome to the Theory meeting on Tuesday. Time: 13.00 Date: 28 March Location: Nexus Presenter: Shivangi Title: "Effect of water for NH3-Selective Catalytic Reduction over Cu-SSZ-13" Henrik