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MS Transport

Efficient molecular dynamics (MD) simulation tool for predicting liquid viscosity and diffusions of atoms and molecules

Materials Science


MS Transport provides access to molecular dynamics (MD) simulation workflows for calculating shear viscosity and the isotropic and anisotropic diffusion coefficients for a particular type of atom or molecule. From the diffusion of Li+ ions in battery polymers to the viscosity of solvents, the equilibrium MD based workflows in MS Transport provide valuable insight into the performance of materials.

Key Capabilities

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Leverage high-speed MD with Desmond to calculate diffusion and viscosity in industrially-relevant clock times
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Calculate diffusion of gasses through matrices, ions through battery polymers, and additives in plastics with user-friendly workflows and analysis viewers
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Predict viscosity with the latest equilibrium molecular dynamics approaches
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Calculate transport properties at desired temperatures and explore the temperature dependance of diffusion and viscosity
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Visualize mean squared displacement  and pressure correlation plots
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FeaturedMolecular dynamics simulations accelerate the development and optimization of recyclable tire materials

Molecular dynamics simulations accelerate the development and optimization of recyclable tire materials

Scientists from Evonik and Schrödinger gain a deeper understanding of the impact of additives and macrocyclic structures on trans-polyoctenamer rubber (TOR).

read the case study

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
Energy Capture & Storage
Complex Formulations
Consumer Packaged Goods
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Browse the list of peer-reviewed publications using Schrödinger technology in related application areas.

Materials Science
Molecular Simulations of Low-Shrinkage Dental Resins Containing Methacryl-Based Polyhedral Oligomeric Silsesquioxane (POSS)

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.