Speaker:
Dr. Yuling An, Product Manager for Materials Science Machine Learning and Enterprise Informatics

Abstract:
Polymers have found use in industries from aerospace composites to food packaging to drug delivery. Their usefulness is tied to the intersection of chemistry, macromolecular structure, and microscale behavior. As the use of polymers has grown so has the need for better tools to predict and understand how the chemistry, processing, and macromolecular structure impacts performance. This webinar will review computational chemistry developed for polymers and how it has become a practical tool for polymer research engineers and scientists to have in their toolbox.

• Polymer property predictions using chemically informed simulations
• Computational chemistry techniques for thermosets and thermoplastics
• Examples in area of epoxy resins, polyacrylates, polyolefins
• Techniques for integrating simulation into industrial research and development

利用计算化学来实现聚合物领域的创新
聚合物已广泛应用于航空复合材料，食品包装，药物输送等多方行业。它们的实用性与化学，大分子结构和微观行为交叉联系在一起。随着聚合物用途的增长，对更好的了解并预测化学和大分子结构是如何影响性能的工具的需求也越来越大。我们借此网络研讨会将回顾聚合物开发的计算化学发展技术，以及它们如何成为可以帮助聚合物研究工程师和科学家的实用工具。

• 使用化学信息模拟进行聚合物性能预测
• 应用于热固性和热塑性塑料的计算化学技术
• 环氧树脂，聚丙烯酸酯，聚烯烃领域的实例
• 如何将计算模拟技术融合到工业研发中