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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.
-{{ :handson:handsonlogo.jpg?direct&600 |}}
-**PLAYGROUND: WORK IN PROGRESS**
-This block course introduces international students to the state-of-the-art of modern electronic-structure calculations. Theoretical background on methods and materials as well as a hands-on practical course on the CP-PAW code are provided. 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. Afternoons are used for tutorials on using the CP-PAW code under the guidance of tutors. After finishing this part of the course, the participants will be able to independently develop and carry out density-functional calculations as well as analyze and judge their results.
-The participants can decide to also attend the second week (**September 19-23, 2022**) of the course. Participants will carry out guided individual projects which they present in a seminar at the end of the week. A small number of lectures on advanced topics of density-functional calculations will be given as well.
-The goal of the course is that participants **learn to perform density-functional calculations of molecules and solids**. Participants will be able to design electronic structure calculations, perform the calculations, analyze results and evaluate their quality. The second week of the course will provide additional insight into specialized topics of density-functional calculations and practice electronic structure calculations in one dedicated project out of a proposed selection or from own ideas if suitable.
-The course is jointly organized by the [[http://www2.pt.tu-clausthal.de/atp/|Institute for Theoretical Physics of 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)                              ||
-|Place        |Göttingen & Paderborn \\ Please read this years format below               ||
-|Organizers   |Prof. Dr. Peter E. Blöchl \\ M.Sc. Lukas Rump \\ Dr. Robert Schade \\ Dr. Xin Wu ||
-|Registration| [[https://events.uni-paderborn.de/e/cp-paw/|events.uni-paderborn.de/e/cp-paw]] ||
-{{:handson:logo_tuc_de_rgb.jpg?direct&180|}}  {{:handson:goettingen_logo.png?direct&200|}}  {{:handson:paderborn_logo.png?direct&180|}}  {{:handson:pc2_logo.png?direct&90|}}  {{:handson:crc_logo.png?direct&130|}}
-----
-===== 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 simultaneously. Lectures will be streamed interactively to the other location so all participants can ask questions. \\ 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 be unable 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. However, a change to a virtual event might be necessary. We will make the final decision on **15.08.2022** to create a safe environment and comply with Covid-19 restrictions. We recommend booking refundable travel and accommodation options or waiting until the final decision. In the case of a virtual course, participants only require a computer/laptop with internet access.
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-===== Program =====
-This is a short outline of the courses program. A detailed timetable can be found on the [[https://events.uni-paderborn.de/e/cp-paw/|event page]]. The schedule of the second week will be adapted to the needs and interests of the participants.
-==== 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
-----
-===== Credits =====
-For students from Göttingen University and Clausthal University of Technology, the one-week course will count for 3 credits and the two-week course for 6 credits. The one-week course will be tested in an oral examination, while the requirements of the two-week course will be a project presentation in the seminar. The respective modules are listed on the UniVZ-pages listed in the table above.
-External students will receive a certificate of attendance that states the workload and topic of the course. This is usually accepted by other universities so that you can use this course for your masters or PhD lecture quota.
-----
-===== Admission =====
-There is no admission fee. However, the number of places is limited and interested students need to apply through the registration form found on the [[https://events.uni-paderborn.de/e/cp-paw/|event page]]. Registration is also required for students from Clausthal University of Technology and Göttingen University.
-If the course is overbooked, we 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.