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MS Dielectric

Automatic workflow to calculate dielectric properties and refractive index

Materials Science: Dielectric


MS Dielectric employs both Jaguar quantum mechanics (QM) and Desmond molecular dynamics (MD) calculations to obtain key optical and dielectric properties. With simple settings and input of only a single molecule or polymer monomer, all the subsequent system building, simulations, and analyses are performed automatically.

Key Capabilities

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Compute dielectric properties of molecular and polymer materials with combined QM & MD workflows
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Calculate the refractive index and Abbe number of molecular and polymer materials
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Simulate and plot complex dielectric constant and dielectric loss versus frequency

Case Study

Battery and energy storage materials

Schrödinger’s Materials Science software platform provides a powerful atomic-scale modeling solution for comprehensive analysis of ion diffusion, mechanical response, and electrochemical response in electrodes and electrolytes, dielectric properties of potential electrolyte compounds, and other relevant properties.

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.

Organic Electronics
Polymeric Materials
Energy Capture & Storage
Catalysis & Reactivity
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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.