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November 2019

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ISP/TSM Serverwartung am Montag dem 09.12.2019
by Bublak, Dominik Nov. 25, 2019

Nov. 25, 2019

Sehr geehrte Damen und Herren, aufgrund einer Serverwartung sind alle ISP/TSM Server am Montag dem 09.12.2019 zwischen 7:00 und 17:00 außer Betrieb. In diesem Wartungszeitraum können keine Daten gesichert/archiviert werden und es können keine Daten zurückgeholt werden. The SuperMUC Archive is also affected by this maintenance Mit freundlichen Grüßen, Ihr LRZ ABS Team

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Molecular Modeling&Schrodinger-Suite and Materials Science
by Momme Allalen Nov. 15, 2019

Nov. 15, 2019

Dear HPC users of LRZ, There are still free places for the following Molecular Modeling and Material Science workshops at LRZ: *Molecular Modeling with Schrödinger-Suite Workshop* *Date: * Wednesday December 04, 2019 09:00 - 17:00 *Location:* LRZ *Registration deadline:* November 30, 2019 *Lecturers:* Schrödinger Software experts : Dr. Tatjana Braun, Dr. Tim Knehans and LRZ-Staff *Further information and registration: * https://www.lrz.de/services/compute/courses/2019-12-04_hmms1w19/ *Topics: *This workshop will be an illustration of how Schrödinger's modelling platform can be used in the context of present-day drug discovery programs. Using hands-on exercises and interactive presentations, we will guide you through an entire workflow with all steps ranging from target analysis and preparation over compound library enumeration to a virtual screening cascade involving shape-based and structure-based methods. Advanced visualization tools are also provided (HTC Vive and V2C). -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- *Schrödinger Materials Science Workshop * *Date: * Thursday December 05, 2019 ; 09:00 - 17:00 *Location:* LRZ *Registration deadline:* November 30, 2019 *Lecturers:* Schrödinger Software experts : Dr. Jacob Gavartin, and Dr. Laura Scarbath-Evers and LRZ-Staff *Further information and registration:* https://www.lrz.de/services/compute/courses/2019-12-05_hmms2w19/ *Topics: *Classical and quantum mechanical atomistic modelling provides both fundamental insight into relation of materials properties to their atomic structure as well as the opportunity for high throughput screening for novel materials development. In this workshop we discuss these methods as applied in polymer research and development. Advanced visualization tools are also provided (VR Tools, CAVE, V2C). We would appreciate if you could forward this email to interested colleagues. Best regards, -- ----------------------------------------------------------------------- Dr. Momme Allalen Application Support Group High Performance Systems Division Leibniz Supercomputing Centre Bavarian Academy of Sciences and Humanities Boltzmannstr. 1 85748 Garching bei Muenchen Germany Room: E.2.017 E-mail: allalen(a)lrz.de Tel: +49 (89) 35831-8816 Fax: +49 (89) 35831-8616 web:http://mallalen.userweb.mwn.de/ -----------------------------------------------------------------------

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