Mixed-Gen Season 3 – Session 2: Theory and numerical simulation of transport processes in condensed matter
CECAM-HQ-EPFL, Lausanne, Switzerland
This is the second session of the third season of the Mixed-Gen on-line series aimed mainly at PhD students and researchers in their first post-doc. Our goal is to continue providing 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.
More detailed information on the program will appear on this page closer to the date of the event.
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 title and abstract following the recommended format. On the same form you can upload your poster file in png or jpg as soon as it is ready. These formats are strict to enable showing of the poster in the Gather session. If the poster file is not ready at the moment of submitting your abstract, you can upload it later by editing your submission (Go to “My participation” tab and click three vertical dots on “Actions” column on table “My posters”). Please upload your poster as soon as possible to enable a decision from the selection committee - see below.
Please note that posters will be visible in the Gather room associated with this session until the end of the series (June 2023) unless otherwise requested.
DEADLINE FOR SUBMISSION: TEN DAYS BEFORE THE EVENT
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, from the posters selected for the Gather session. Please tick “No” to the question “Upgrade to talk?” in your application if you DO NOT WANT your poster to be considered for upgrade to a talk.
THE DECISION ON THE POSTER AND THE OUTCOME OF THE SELECTION OF THE TALKS WILL BE COMMUNICATED ONE WEEK BEFORE THE EVENT
POSTER SUBMISSIONS BEYOND THIS DEADLINE WILL BE ACCEPTED BUT NOT CONSIDERED FOR UPGRADE TO TALK. SUBMISSION WILL BE DEFINITELY CLOSED FOUR DAYS BEFORE THE EVENT.
SESSION 2. Title and abstract of talks
Gauge invariance of transport coefficients: fathoming heat transport from the struggle to simulate it
Stefano Baroni , SISSA, Trieste
The simulation of adiabatic (i.e. non-electronic) heat transport from the Green-Kubo theory of linear-response has long been hampered by two misconceptions. First, the linear-response theory of heat transport was deemed incompatible with modern simulation techniques based on electronic-structure theory, because the quantum mechanical expression of the heat flux that enters the Green-Kubo formula is inherently ill defined. Second, it is commonly thought that the numerical application of this theory would require very long molecular-dynamics simulations, much longer in fact than the typical heat-flux auto-correlation times one is required to evaluate. In this talk I will describe the efforts done at SISSA over the past several years to overcome this state of affairs, which resulted in a methodology allowing one to compute heat transport coefficients from equilibrium molecular dynamics (both ab initio and based on deep neural-network potentials), no less than in a deeper understanding of the theory of hydrodynamic fluctuations and their numerical analysis through the statistical theory of stationary time series.
Sara Bonella (CECAM HQ) - Organiser
Ignacio Pagonabarraga (CECAM HQ) - Organiser