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Conference

The Global Polymer Summit

CalendarDate & Time
  • September 28th-30th, 2026
LocationLocation
  • Louisville, Kentucky

Schrödinger is excited to be participating in the Global Polymer Summit 2026 conference taking place on September 28th – 30th in Louisville, Kentucky. Join us for a presentation by Croix Lancosay, Senior Scientist I at Schrödinger, titled “Design of Elastomer Monomers with Generative Machine Learning.” Stop by booth #709 to speak with Schrödinger scientists.

icon time SEPT 29 | 1:15 PM
icon location HF GROUP Theater, Expo Floor
Design of Elastomer Monomers with Generative Machine Learning

Speaker:
Croix Lancosay, Senior Scientist I, Schrödinger

Abstract:
The next generation of elastomeric materials for wire coatings and seals requires components that perform reliably under extreme conditions, placing stringent and often competing specifications on the underlying polymer chemistry. The simultaneous optimization of multiple properties remains challenging, as structural motifs that improve one property may be detrimental to another, and the vast polymer chemical space makes exhaustive experimental screening impractical. For this reason, we employ a computational workflow that combines generative AI, machine learning, and physics-based simulation to identify and validate materials that show promise as elastomeric insulators.

In this work, we apply REINVENT, a recurrent neural network-based generative framework with reinforcement learning optimization, to the inverse design of elastomer monomers targeting simultaneously two desired properties. A prior is pre-trained on a polymer database to learn the grammar of polymer chemistry, then focused toward an elastomeric chemical space. Reinforcement learning is used to steer generation toward candidates satisfying multi-objective property criteria, using Schrödinger’s built-in machine learning models as scoring functions. We evaluate generated candidates for chemical validity, diversity, and assess the most promising structures through computational property validation. This study demonstrates how an established generative AI framework can be used for goal-directed polymer discovery, and highlights opportunities for accelerating the design of specialty polymers for sealing and insulation applications.

icon time SEPT 29 | 3:30 PM
icon location Exhibit Entrance
Pop-up Talk: Rapid Polymer Design & Formulation: High-Throughput Digital Development with Schrödinger

Speaker:
Andrea Browning, Senior Director of Polymers and Soft Matter, Schrödinger

Abstract:
Schrödinger’s advanced physics-based simulation and AI-driven platform are transforming polymer research and enabling rapid screening. This presentation shows how integrating domain-informed computational tools (molecular dynamics, machine learning, agentic AI) empowers scientists to uncover root-cause material insights and streamline development workflows in a single afternoon. Learn practical approaches to embed enterprise-grade digital innovation directly into your research lab.