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December 11, 2024
9:00 am
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Mastering Chemical Reactions: Discover the Power of Promethium's New Chemical Reaction Suite

Gain deeper insights into your reactions and fine-tune them for better results.
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Unlock the full potential of chemical simulations with Promethium's Chemical Reaction Suite, the latest addition to QC Ware's molecular discovery platform. Designed for computational chemists, materials scientists, process chemists, and synthetic chemists, this feature-rich suite provides a powerful toolkit to simulate, optimize, and study chemical reactions.In this webinar, you’ll learn about:

  • Optimizing reaction paths to obtain the intrinsic reaction coordinates with our proprietary method based on Chebyshev splines.
  • Fast transition state optimizations with GPU-accelerated analytical hessians and an advanced eigenvector-following algorithm.
  • Predicting transition state structures and products from given reactants.

These insights will enable you to:

  • Gain deeper insights into your reactions and fine-tune them for better results.
  • Choose the most effective reactants.
  • Troubleshoot and optimize reactions with ease.
  • Reduce the time and resources spent on trial-and-error experimentation.

We’ll also showcase real-world applications, including a mechanistic study of organometallic catalysts and evaluating the relative strength of Michael acceptors, followed by a live demo of key workflows. Whether you're involved in chemicals, materials, synthesis, or process chemistry, this webinar will show you how to gain deeper insights into your reactions with cutting-edge computational tools.

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Presenters
Ed Hohenstein, PhD
Ed Hohenstein, PhD
Senior Staff Scientist, Quantum Chemistry at QC Ware
Host
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