General announcements

Messages from the Psi-k trustees and other topics of relevance to the Psi-k community, e.g. community-led software codes or databases…

Due to the large number of posts recently, there is currently a delay of several weeks between posts being submitted and the corresponding emails being distributed to all users. Please bear with us while we try to improve this. In the meantime – and until this notice is removed – it would assist us considerably if you could submit only important and/or urgent posts and thus help to reduce the size of the mail queue. Under no circumstances should you resend posts multiple times when you find the emails are not distributed immediately.

In light of the Russian military offensive in Ukraine, we request that announcements relating to events, jobs and other activities associated with institutions supported by the Russian and Belarusian states are not posted to the Psi-k forum.


Webinar: Polymer Simulations with the QuantumATK ... (No replies)

QuantumATK
4 years ago
QuantumATK 4 years ago

Join us for a webinar exploring the world of polymer simulations with the QuantumATK platform. Polymer simulation tools in QuantumATK can be used to design polymers with improved thermo-mechanical, thermal conductivity and optical properties within R&D of areas such as photoresist, transparent polymers and polymers used for tire and insulation industries.

Date: 14th of May, 2020
Time 1: 9 AM CEST (Europe) / 12.30 pm IST (India) / 3 pm CST (China) / 4 pm KST (South Korea) / 4 pm JST (Japan)
Time 2: 12 pm EDT (US East Coast) / 9 am PDT (US West Coast)/ 6 pm CEST (Europe)

Duration: 1 hour (including Q&A session)

Register for the webinar here

  • See in action how easy it is to build and equilibrate representative polymer models using an automated polymer building workflow. Control variables such as tacticity, chemical composition and the inclusion of plasticizers, particles and surfaces to produce specific structures tailored to different problems.
  • Learn how QuantuamATK can be used to estimate properties of polymer systems using highly scalable molecular dynamics (MD) simulations. Calculate important properties such as glass transition temperature, elastic moduli, and thermal transport.
  • Discover how the polymer analysis tools within QuantumATK can rapidly provide insight into the behavior of different polymer systems.
  • Find out how accurate density functional theory (DFT) calculations can be incorporated into polymer simulations to describe properties related to electronic structure, such as the optical spectrum.

Though this webinar is targeted to researchers with atomic-scale modeling experience, attendees without such experience can also get an overview of how such simulations can be used to design polymers.

You are welcome to ask questions throughout the webinar or at the end during the Q&A session.

Register for the webinar here




Back to General announcements...

Leave a Reply

This site uses Akismet to reduce spam. Learn how your comment data is processed.

Ab initio (from electronic structure) calculation of complex processes in materials