{{ :events:2017_user_tutorial:cp2k_user_tutorial_2017_01.png?nolink&1024 |}} ====== CP2K User Tutorial 2017 on "Advanced ab-initio MD methods" ====== The CP2K User Tutorial 2017 on "Advanced ab-initio MD methods", will be held on July 12-14, 2017 at University of Zurich (Campus Irchel). The goal of this CP2K tutorial is to provide to researchers and students in the field of molecular simulations a survey of the most relevant computational MD tools implemented within the CP2K program package. === Topics covered (not limited to): === * Hybrid-functionals and calculation of exact exchange. * Correlations methods (RI-MP2/RI-RPA). * GW. * Multiple-time-step and path-integral MD. * Monte-Carlo-sampling. ---- ===== Location, Accommodation and Refunds ===== The tutorial will be held at University of Zurich, Campus Irchel, Switzerland. All lectures and hands-on sessions will be given in plenary room Y34-K01 ([[https://www.plaene.uzh.ch/Y34|view]]). The time-table and program are listed below. Accommodations, breakfast and dinner are not provided, but recommendations can be given on request. Please stay tuned by reloading this page from time-to-time. There will be a (partial) refunding available for members of MARVEL and UK-based researchers. The conditions will be made public soon. * For UK-based researchers: (partial) financial support is available from the EPSRC-funded CP2K-UK project. Please register for the tutorial, add 'EPSRC' to your affiliation and then email [[i.bethune@epcc.ed.ac.uk|Iain Bethune]] with an estimate of your travel costs. **Do not** book travel until you have received confirmation of funding. * [[http://nccr-marvel.ch/en|NCCR-MARVEL]] researchers can get funding from the MARVEL project. Please register for the tutorial and add 'MARVEL' to your affiliation. ---- ===== Registration (CLOSED) ===== The registration will open on Tuesday, 16th May 2017 and close on Wednesday, 31st May 2017. Please send an e-mail with the following information: * Subject/Tag: 'Registration - CP2K USER MEETING 2017' * First and last name. * Nationality. * Contact addresses. * Affiliation (eg. university/department/project). to [[andreas.gloess@chem.uzh.ch|Andreas Glöss, University of Zurich]]. __Note:__ The number of participants is limited to 25 and members of NCCR-MARVEL and UK-based researchers will get higher priority. Please **do not** book travel until you have received a final registration confirmation. ---- ===== Program ===== ==== 12th July (10am - 5pm) ==== * (10:00 - 10:30) Welcome * (10:30 - 11:30) {{:exercises:2017_uzh_cp2k-tutorial:iannuzzi_cp2k-tutorial-zurich2017.pdf | Introduction to GPW and GAPW}} (Marcella Iannuzzi) * (11:30 - 12:30) [[https://mattatlincoln.github.io/cp2k_workshop_2017|Hybrid functionals and ADMM method]] (Matt Watkins) * [lunch] * (13:30 - 17:00) Hands-on and Tutorial on optimized setups ==== 13th July (9am - 5pm) ==== * (09:00 - 10:00) {{exercises:2017_uzh_cp2k-tutorial:tutorial_rybkin.pdf | RI-MP2 and RI-RPA methods}} (Vladimir Rybkin) * [coffee break] * (10:30 - 11:30) {{exercises:2017_uzh_cp2k-tutorial:tutorial_wilhelm.pdf|GW calculations for molecules and solids: Theory and implementation}} (Jan Wilhelm) * (11:30 - 12:30) Hands-on on correlated methods * [lunch] * (13:30 - 14:00) {{exercises:2017_uzh_cp2k-tutorial:rybkin_cp2k-tutorial-zurich2017.pdf | Monte Carlo Sampling}} (Vladimir Rybkin) * (14:00 - 17:00) Hands-on on exercises for correlated methods * (18:00 - 22:00) (optional) Social Dinner - BBQ, Lichthof@UZH ==== 14th July (9am - 4pm) ==== * (9:00 - 10:00) {{exercises:2017_uzh_cp2k-tutorial:kapil_cp2k-tutorial-Zurich2017_1.pdf | Efficient Molecular Dynamics: Thermostats, Barostats and Multiple Time Steps (1)}} (Venkat Kapil) * [coffee break] * (10:30 - 11:30) Multiple-time-step and path-integral MD 2 (Venkat Kapil) * (11:30 - 12:30) Hands-on on MTS and PIMD * [lunch] * (13:30 - 16:00) Hands-on on MTS and PIMD * Q&A, Wrap-Up ----