MS Transport
Efficient molecular dynamics (MD) simulation tool for predicting liquid viscosity and diffusions of atoms and molecules
Overview
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
Leverage high-speed MD with Desmond to calculate diffusion and viscosity in industrially-relevant clock times
Calculate diffusion of gasses through matrices, ions through battery polymers, and additives in plastics with user-friendly workflows and analysis viewers
Predict viscosity with the latest equilibrium molecular dynamics approaches
Calculate transport properties at desired temperatures and explore the temperature dependance of diffusion and viscosity
Visualize mean squared displacement and pressure correlation plots
Featured
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 studyBroad 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
Semiconductor
Consumer Packaged Goods
Related Products
Learn more about the related computational technologies available to progress your research projects.
Desmond
High-performance molecular dynamics (MD) engine providing high scalability, throughput, and scientific accuracy
OPLS4 & OPLS5 Force Field
A modern, comprehensive force field for accurate molecular simulations
MS CG
Efficient coarse-grained (CG) molecular dynamics (MD) simulations for large systems over long time scales
MS Penetrant Loading
Molecular dynamics (MD) modeling for predicting water loading and small molecule gas adsorption capacity of a condensed system
Force Field Builder
Efficient tool for optimizing custom torsion parameters in OPLS4
Publications
Browse the list of peer-reviewed publications using Schrödinger technology in related application areas.
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.
Tutorials
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.
Other Resources