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Webinar: High-Throughput Molecular Simulations for Gas Sorption in Polymers: Automated Workflows for Industrial Materials Design

  • Writer: Katherine Hollingsworth
    Katherine Hollingsworth
  • 6 days ago
  • 2 min read
Webinar: High-Throughput Molecular Simulations for Gas Sorption in Polymers

Gas sorption in polymer matrices plays a critical role in many industrial applications, from gas separation membranes to food and pharmaceutical packaging. Understanding and predicting these phenomena requires molecular-level insights that account for polymer-gas interactions and potential matrix swelling effects. In this webinar, we will present advanced, automated simulation workflows that combine Molecular Dynamics (MD) and Monte Carlo (MC) methods to predict gas sorption behavior accurately and efficiently in polymeric systems. By leveraging high-throughput automation, these workflows deliver statistically robust results while dramatically reducing user effort and time-to-results. 


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What you will learn:

  • How automated MD–MC workflows enable reliable prediction of gas sorption in polymers

  • Strategies for achieving robust statistical sampling through multiple independent configurations

  • How large-scale simulation campaigns are automatically generated, managed, and analyzed

  • Prediction of sorption isotherms and polymer swelling behavior

  • How molecular simulations can guide material selection, process optimization, and new materials design

  • How computational approaches can complement extensive experimental screening


Who should attend:

  • Materials scientists and polymer scientists

  • R&D professionals working on membranes, packaging, or gas separation materials

  • Industrial researchers seeking faster, more predictive material design workflows

  • Anyone interested in high-throughput molecular simulation and materials design modeling

  • Computational chemists and simulation specialists




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Webinar Sessions



Tuesday, February 24th:

Live Q&A 10:00 AM PST (USA) 1:00 PM EST (USA) 19:00 CET (EUROPE)


Wednesday, February 25th:

Live Q&A 07:00 AM PST (USA) 10:00 AM EST (USA) 16:00 CET (EUROPE) 20:30 IST (INDIA)


Thursday, February 26th:

Live Q&A 08:00 CET (EUROPE) 12:30 IST (INDIA) 15:00 CST (CHINA) 16:00 JST (JAPAN)



Note: Please select a day and time that best fits your schedule. This one-hour webinar is offered multiple times to accommodate participants worldwide. Note: All of our scientific webinars are free to attend.



 
 
 

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