GA Optoelectronics

Design solution for novel molecular materials in optoelectronic applications based on a generative algorithm

GA Optoelectronics


GA Optoelectronics enables the generation of novel chemical space for molecular materials with desired properties for optoelectronic applications via a genetic algorithm. The optoelectronics capabilities are designed to leverage rapid screening to complement experimental development by elucidating molecular properties and informing future synthetic targets.

Key Capabilities

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Generate a library of compounds within the target property space with genetic optimization
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Account for multiple properties when optimizing molecular structures (e.g redox potential, excited state energies or any experimental properties)
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Design new and diverse structures using density functional theory (DFT) calculations or pre-built machine learning models
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Explore structural mutations (element, fragment, isoelectronic) within basic molecular design constraints (number of atoms, molecular weight)

Broad applications across materials science research areas

Get more from your ideas by harnessing the power of large-scale chemical exploration and accurate in silico molecular prediction.

Polymeric Materials
Complex Formulations
Energy Capture & Storage
Organic Electronics
Consumer Packaged Goods
Catalysis & Reactivity

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Browse the list of peer-reviewed publications using Schrödinger technology in related application areas.

Materials Science
n-Type naphthalimide-indole derivative for electronic applications
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Achieving High Efficiency and Pure Blue Color in Hyperfluorescence Organic Light Emitting Diodes using Organo-Boron Based Emitters
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Design of organic electronic materials with a goal-directed generative model powered by deep neural networks and high-throughput molecular simulations
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Rapid Multiscale Computational Screening for OLED Host Materials
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Virtual Screening for OLED Materials
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Atomic-scale Simulation for the Analysis, Optimization and Accelerated Development of Organic Optoelectronic Materials

Training & Resources

Online certification courses

Level up your skill set with hands-on, online molecular modeling courses. These self-paced courses cover a range of scientific topics and include access to Schrödinger software and support.


Learn how to deploy the technology and best practices of Schrödinger software for your project success. Find training resources, tutorials, quick start guides, videos, and more.