Eurocoat 2026
- March 24th-26th, 2026
- Paris, France
Schrödinger is excited to be participating in the Eurocoat 2026 conference taking place on March 24th – 26th in Paris, France. Join us for a presentation by Irene Bechis, Senior Scientist II at Schrödinger, titled “Digital chemistry approach to accelerate polymer development for coatings.” Stop by booth C30 to speak with Schrödinger scientists.
Digital chemistry approach to accelerate polymer development for coatings
Speaker:
Irene Bechis, Senior Scientist II, Schrödinger
Abstract:
Coatings are indispensable in modern life, offering protection and unique functionalities to materials across diverse industries such as construction, automotive, and aerospace.
Developing new and improved materials for coating applications is a challenging process driven by the need to optimize the candidates towards superior performance, cost-effectiveness, and sustainability. This often requires several rounds of experimental exploration of candidate chemistries, considering material responses to various substrates but also different process and environmental conditions.
Adoption of digital design in polymers has gained in both visibility and impact as more industries see the value in computer-based analysis of materials. Molecular modelling approaches can accelerate material selection and characterization, ensuring that target properties are met, leveraging the description and understanding of the material chemistry and microstructure with atomistic resolution.
In this talk, we will showcase how Schrödinger’s digital chemistry platform can accelerate acrylate development for self-healing applications. We will show how chemistry-informed machine learning can be used for efficient screening of monomer chemistries for target copolymer properties and how physics-based modeling can provide fundamental understanding by connecting key thermomechanical properties to molecular interactions between polymer chains and other components of the formulations.
Our suite combines the possibility to create and automate custom workflows to build, simulate and analyze complex systems with fast simulation engines covering different time and length scales. The platform is intuitive and versatile, maximizing collaborations across teams and accessibility to both expert and non-expert modelers.