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

QuantumATK
5 years ago
QuantumATK 5 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




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