BEGIN:VCALENDAR VERSION:2.0 PRODID:-//CERN//INDICO//EN BEGIN:VEVENT SUMMARY:Molecular Dynamics Simulation with GROMACS DTSTART:20261112T080000Z DTEND:20261113T120000Z DTSTAMP:20261102T141500Z UID:indico-event-419@events.asc.ac.at CONTACT:training@asc.ac.at DESCRIPTION:Start date:  12 November 2026\, 09:00 (CET)  Entry level:   BasicEnd date:  13 November 2026\, 13:00 (CET)  Subject area:  Molecula r Dynamics (MD)Location:  ONLINE (Zoom)    Topics:  GROMACSLanguage:  English    Target audience:  Industry\, public admin\, academiaPrice:  Free (for eligible participants)    Organizers:  ASC / EuroCCDive in to the world of Molecular Dynamics (MD) with this two-half-day online cour se on GROMACS for High-Performance Computing (HPC). Learn how to build\, r un\, and analyze simulations from start to finish – from energy minimiza tion and equilibration to trajectory visualization with VMD. With hands-on insights into force fields\, GPU optimization\, and scalable multi-node w orkflows\, you’ll gain the practical skills needed to launch scientifica lly sound MD simulations for your own biomolecular research.Molecular Dyna mics (MD) simulations with GROMACS must be scientifically sound and effici ently executed on High-Performance Computing systems. This concept is base d on three core pillars: accurate physical modeling with force fields\, a robust simulation workflow (minimization – equilibration – production) \, and insightful trajectory analysis.This two-half-day online course prov ides an overview of the fundamental workflow of molecular dynamics simulat ions using GROMACS on multi-node GPU clusters. It introduces the essential steps of energy minimization\, equilibration\, and production simulation\ , explains how force fields and parameterization define interactions. Fina lly the participants will learn how to analyze and visualize simulation re sults with VMD.While the course focuses on core concepts and workflows\, G ROMACS is widely used in areas such as protein structure modeling and fold ing\, biomolecular dynamics\, membrane simulations\, and computer-aided dr ug design. Participants interested in these application domains will gain the essential background needed to further explore such use cases in their own research.At the end of the course\, participants will understand how to prepare a molecular system for simulation\, how to run it efficiently o n high-performance computing resources with GPUs across multiple nodes\, a nd how to carry out basic trajectory analysis and visualization to extract meaningful structural and dynamical insights.Agenda & ContentFor a detail ed timetable and additional information\, please see Agenda & Content in t he left menu.Target audience\, eligibility & pricesEveryone is welcome who wants to learn the fundamentals of molecular dynamics simulations with GR OMACS and HPC\, including students\, researchers\, and professionals from academia and industry with an interest in computational chemistry\, biophy sics\, structural biology\, or drug discovery.This course is open and free of charge for all participants from academia\, industry\, and public admi nistration from EU and/or EuroHPC JU member countries.Entry level & prereq uisitesBeginner – no prior experience with GROMACS or HPC is necessary.B asic knowledge of molecular structure and classical mechanics is helpful b ut not required.Course formatThis course will be delivered as a LIVE ONLIN E COURSE (using Zoom).Hands-on labsAll participants will get a temporary u ser account on one of the ASC systems to do the hands-on labs.You will use your own laptop or workstation to connect conveniently from your browser to the ASC Jupyterhub and do the hands-on exercises on a suitable CPU or G PU partition of the ASC.Accepted participants will be contacted a few days before the course and asked to do a short pre-assignment that has to be c ompleted before the course starts.LecturerThomas Haschka (Campus IT / HPC\ , TU Wien)    Dr. Thomas Haschka is an Austrian biophysicist and compu tational scientist specializing in molecular biophysics\, high-performance computing\, machine learning and Artificial Intelligence. He currently wo rks as an AI Specialist in the dataLAB of the High-Performance Computing U nit at Campus IT\, TU Wien\, supporting advanced research infrastructure a nd data-driven innovation. With a PhD from Université de Reims Champagne- Ardenne (highest distinction)\, he has held research positions at institut ions such as the Pasteur Institute\, Paris Brain Institute\, and the Ameri can University of Beirut. His work spans molecular dynamics\, epidemiologi cal modeling\, genomics\, and AI evaluation methods\, supported by strong expertise in GPU programming and cloud technologies. He combines academic research excellence with real-world industrial consulting experience.Langu ageEnglishDate\, time\, and location12.–13.11.2026\, 09:00 – 13:00 (CE T)\, LIVE ONLINE COURSE (Zoom)RegistrationRegistration is required\, the r egistration form can be found on top of this page in the menu on the left. Please register with your official institutional email address to prove yo ur affiliation.You will get an automatic confirmation by email (subject st arting with "[Indico] Registration")\, please check your Spam/Junk folders .Following your successful registration\, you will receive further informa tion a few days before the course.Please do not hesitate to contact us at training@asc.ac.at if you have any questions.WaitinglistAfter the number o f registrations has reached its maximum or the registration form has been closed\, you may want to send us an email (training@asc.ac.at) stating tha t you are interested to be put on the waiting list (vacancies may occur du e to cancelations\, etc.).To be able to do the hands-on labs on the ASC sy stems please provide your full international mobile-phone number for the t wo-factor authentication required to login to the ASC systems.Modification \, withdrawal & no-show policyYour registration is binding. Please only re gister for the course if you are really going to attend.You can update you r registration data or withdraw your registration anytime before the regis tration form has been closed via the link "Manage my registration" which y ou can find at the bottom of your automatic email confirmation (subject st arting with "[Indico] Registration").Alternatively\, or after the registra tion form has been closed\, please inform us about your cancelation or any change in your registration data (especially your mobile-phone number) vi a email (training@asc.ac.at).No-show policy: If you do not cancel and do n ot show up at the course you will be blacklisted and excluded from future training events.OrganizersThis course is organized by Austrian Scientific Computing ASC (aka ASC Research Center\, TU Wien).AcknowledgementsThis cou rse is partially funded by the EuroCC 3 project.EuroCC 3 has received fund ing from the European High-Performance Computing Joint Undertaking (JU) un der Grant Agreement No. 101306701. The JU receives support from the Europe an Union‘s Digital Europe Programme and Germany\, Albania\, Austria\, Be lgium\, Bosnia and Herzegovina\, Bulgaria\, Croatia\, Cyprus\, Czechia\, D enmark\, Estonia\, Finland\, France\, Greece\, Hungary\, Iceland\, Ireland \, Italy\, Latvia\, Lithuania\, Luxembourg\, Malta\, Montenegro\, the Neth erlands\, North Macedonia\, Norway\, Poland\, Portugal\, Romania\, Serbia\ , Slovakia\, Slovenia\, Spain\, Sweden\, Türkiye\, and Kosovo.Funded by t he European Union. Views and opinions expressed are however those of the a uthor(s) only and do not necessarily reflect those of the European Union o r EuroHPC Joint Undertaking. Neither the European Union nor the EuroHPC Jo int Undertaking can be held responsible for them.National co-funding for A ustria was granted by Austrian Scientific Computing (ASC).\n\nhttps://even ts.asc.ac.at/event/419/ IMAGE;VALUE=URI:https://events.asc.ac.at/event/419/logo-4053892323.png LOCATION:Zoom (ONLINE) URL:https://events.asc.ac.at/event/419/ END:VEVENT END:VCALENDAR