Molecular Modeling&Schrodinger-Suite and Materials Science

Momme Allalen Momme.Allalen at
Fr Nov 15 08:57:21 CET 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: *

*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:*

*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 

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

Room: E.2.017
E-mail: allalen at
Tel: +49 (89) 35831-8816
Fax: +49 (89) 35831-8616

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