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-====== Hands-on Course on Density-Functional Calculations – International CP-PAW Autumn School======
+===== PLAYGROUND =====
-**Göttingen & Paderborn, September 12-23, 2022**
+Test new changes and pages here.
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-**PLAYGROUND: WORK IN PROGRESS**
-This block course introduces participants to the state-of-the-art of modern electronic-structure calculations. It provides theoretical background on methods and materials together with hands-on practical experience using the CP-PAW code. The course targets physicists and chemists during their masters or early PhD studies.
-In the first week (**September 12-16, 2022**), students attend lectures in the morning to obtain the theoretical background. Tutors guide practice sessions on using the CP-PAW code in the afternoon. After finishing this week of the course, the participants can independently develop and carry out density-functional calculations and subsequently analyze and judge their results.
-Participants decide whether to attend the second week of the course (**September 19-23, 2022**). They will carry out individual guided projects which they will present in a seminar at the end of the week. Additionally, there will be lectures on advanced topics of density-functional calculations.
-The goal of the course is that participants **learn to perform density-functional calculations of molecules and solids**. Participants will learn to design electronic structure calculations, perform the calculations, analyze results and evaluate their quality. The second week provides additional insight into specialized topics of density-functional methods. Participants train electronic structure calculations in one dedicated project out of a proposed selection.
-The course is supported and organized by the [[http://www2.pt.tu-clausthal.de/atp/|Institute for Theoretical Physics of the Clausthal University of Technology]], the [[https://www.uni-goettingen.de/de/200460.html|Institute for Theoretical Physics of Georg-August University Göttingen]], the [[https://physik.uni-paderborn.de/|University Paderborn]], the [[https://pc2.uni-paderborn.de/|Paderborn Center for Parallel Computing]], and the [[https://www.uni-goettingen.de/de/437142.html|CRC 1073 Atomic Scale Control of Energy Conversion]] funded by the German Research Foundation DFG. The course is part of the [[https://www.uni-goettingen.de/de/irtg/438103.html|Integrated Research Training Group]] of the CRC 1073.
-^             ^  One-week Course                     ^  Two-week Course                    ^
-|Dates        |  September 12-16, 2022               |  September 12-23, 2022              |
-|Time         |Monday - Friday: 9:00 - 18:00 CEST (UTC+2h)                              ||
-|Locations    |Georg-August University, Göttingen, Germany or \\ Paderborn University, Germany \\ Please read this years format [[playground:playground#Location and format under COVID-19|below]]           ||
-|Organizers   |Prof. Dr. Peter E. Blöchl \\ M.Sc. Lukas Rump \\ Dr. Robert Schade \\ Dr. Xin Wu ||
-|Registration & \\ further information| [[https://events.uni-paderborn.de/e/cp-paw/|events.uni-paderborn.de/e/cp-paw]] ||
-----
-===== Location and format under COVID-19 =====
-The course will take place in person in Göttingen and Paderborn if it is considered safe and COVID-19 regulations allow it. [[https://pc2.uni-paderborn.de/|PC2]] in Paderborn provides computing resources for the tutorial and projects on the [[https://pc2.uni-paderborn.de/hpc-services/available-systems/noctua2|Noctua 2 Supercomputer]].
-Participants will attend lectures and tutorials in-person at both locations, with the former streamed interactively to the second venue. \\ A poster session provides the opportunity for scientific exchange. Please select during registrations whether you want to contribute with a poster. \\ Furthermore, coffee/lunch breaks and a (voluntary) social dinner offer time to discuss, socialize, and network.
-We offer online access to the course (lecture/tutorial) if in-person attendance is not possible due to, for example, travel restrictions from other countries. Please provide a reason in the appropriate field during registration. Please note that we heavily advise in-person attendance and might not be able to provide the same amount of support.
-If you only want to listen to the lectures and not participate in the tutorial or project work, you can do so online.  Please select the correct registration category ("**lectures only**") to not take away spaces for participants who want to attend the tutorial. Listen-only slots are not limited but will grant no certificate of attendance.
-**COVID-19 regulations** are continuously changing and make planning complex. Participants should plan for an in-person course. We will do our best to create a safe environment but have to comply with COVID-19 restrictions. Therefore, a change to a virtual event might be necessary.  We recommend booking refundable travel and accommodation options or waiting until the final decision. If the course is conducted 100% virtually, participants will only require a computer/laptop with internet access.
-----
-===== Program =====
-The following is a short outline of the courses program. A detailed timetable is available on the [[https://events.uni-paderborn.de/e/cp-paw/|event page]]. We will adapt the second week to the participants' needs and interests.
-==== First Week ====
-The course in the first week consists of two lecture series in the morning and practice sessions in the afternoon.
-  * **Lecture "Theoretical Basis of Density-Functional Calculations"** \\ density-functional theory, //ab-initio// molecular dynamics, electronic structure methods, plane-waves, k-points and supercells
-  * **Lecture "Electronic Structure Made Simple"** \\ patterns of bonding, from bonds to band structures, the use of symmetry, patterns of atomic structure
-  * **Practice Session "CP-PAW Hands-On"** \\ practical exercises using the CP-PAW code for density-functional calculations
-==== Second Week ====
-In the second week, the focus is on individual guided projects.
-  * **Lecture "Advanced Topics of Density-Functional Calculations"** \\ transition-state theory, //ab-initio// thermodynamics
-  * **Guided individual projects** \\ Participants will study one of several problems. The projects are chosen to cover a range of typical applications. Furthermore, they represent classical questions from solid-state physics and chemistry. Examples of projects are:
-    * Ruby: Impurities and Optical Transitions
-    * Hydrogen Diffusion in Palladium
-    * Scanning-Tunneling-Miscroscope Images of Graphene and Adsorbed Atoms
-    * Pressure-Volume Phase Diagram of Silicon
-    * Schottky Barrier of Silicon on Aluminium: Interfaces
-    * Bimolecular Nucleophilic Substitution S<sub>N</sub>2
-    * Buckled-Dimer Reconstruction of the Si(001) Surface
-  * **Seminar** \\ participants present their project to the group
-----
-===== Admission =====
-There is no admission fee. Participants need to apply through the registration form on the [[https://events.uni-paderborn.de/e/cp-paw/|event page]] as the number of places is limited. Students from Clausthal, Göttingen, and Paderborn University have to register too.
-If the course is overbooked, we would need to make a selection. To aid this process, please inform us of your scientific/educational background and your motivation to participate in the appropriate fields of the registration page.
-We will inform applicants via e-mail about their admission.
-----
-===== Credits =====
-For students from Göttingen University and the Clausthal University of Technology, the one-week course will count for 3 graded credits and includes an oral examination. The two-week course yields 6 graded credits based on the project presentation in the seminar. The respective modules are available on the UniVZ-pages listed in the table above.
-External students will not be graded but get a certificate of attendance that states the workload and topic of the course. Other universities usually accept this such that you might use it for your masters or PhD lecture quota.