Mixed-Gen Session 1 : Activated events
Oline meeting - hosted by CECAM-HQ
This is the first of a series of on line events aimed mainly at PhD students and researchers in their first post-doc. Our goal is to provide a new venue for these young scientists to share their work, get expert feedback and have an opportunity to strengthen scientific relations within the CECAM community.
The event is fully on line and will have two parts. In the first, broadcasted as a Zoom webinar, Prof. Christoph Dellago, University of Vienna, will present a general talk in the area of activated events (title and abstract below). This will be followed by seminars given by two young members of the community to describe their work in the same area. In the second part of the event, we shall move to a virtual poster session hosted in a Gather room where more PhD students and researchers in their first post-doc will present pertinent projects. The session’s speaker and other (surprise) expert guests will join us for this poster session to discuss exciting new science.
If you are a PhD student or a post-doc:
Please use the Participate Tab on this page to start the application. You will have to login using your CECAM account to access the application form. If you don't have a CECAM account yet, use the register option on the top right corner of the login page...and welcome to CECAM!
If you are a more senior scientist:
Please contact the organisers and we shall process your registration
Submission of posters
(Please note that - at least for the time being - we shall accept posters only from PhD students or researchers in their first post-doc)
After your application is accepted, you will be able to submit a poster. In the CECAM page for this event, go to “my participation” tab and click on “Add a poster”, providing in particular title and abstract following the recommended format. Then, please upload the poster file in png or jpg by clicking on “Add a file”. These formats are strict to enable showing of the poster in the Gather session. Please upload your poster as soon as possible to enable a decision from the selection committee - see below.
DEADLINE FOR SUBMISSION: FRIDAY, JANUARY 15 2021
Selection of posters
Posters will be selected by the event organisers with the support of our main speaker and experts who will take place in the poster session.
Selection of the two talks by PhD or first year postdocs
These contributions, to be broadcasted in the Zoom webinar in the first part of the event, will be selected, after a preliminary screening by the organisers, the main speaker and guest experts, via a lottery from the posters selected for the Gather session. Please indicate in your application if you DO NOT WANT your poster to be considered for this lottery.
THE DECISION ON THE POSTER AND THE OUTCOME OF THE LOTTERY SELECTION WILL BE COMMUNICATED BY THURSDAY, JANUARY 21 2021
SESSION 1. Title and abstract of talks
Bridging time scales in molecular simulations
Christoph Dellago, Faculty of Physics, University of Vienna
The microscopic dynamics of many condensed matter systems occurring in nature and technology is dominated by rare but important barrier crossing events. The resulting wide ranges of time scales are a challenge for molecular simulation. For instance, a supercooled liquid can exist in a metastable state without freezing for very long times before it eventually crystallizes. In this case, typical waiting times may vastly exceed the time scales accessible to molecular dynamics simulations. Similarly, the time scales of chemical reactions or of biomolecular reoganizations can be many orders of magnitudes longer than those of basic molecular motions. This rare event problem is also related to the problem of finding reaction coordinates, i.e. of identifying important degrees of freedom that capture the mechanism of the process under study. In this talk, I will give an overview of several approaches developed to address these computational problems and illustrate them with various examples including the crystallization of supercooled liquids and cavitation of water under tension. I will conclude with a discussion of some open problems and an outlook to possible future directions.
Sara Bonella ( CECAM HQ ) - Organiser
Ignacio Pagonabarraga ( CECAM HQ ) - Organiser