Video
Materials Science
Building Organometallic Complexes in MS Maestro
The seventh video in the Getting Going with Materials Science (MS) Maestro Video Series: Buidling an organometallic complex.
Video
Materials Science
Building Small Molecules in MS Maestro
The sixth video in the Getting Going with Materials Science (MS) Maestro Video Series: 2D Sketcher, 3D Builder, and Force Field Minimization.
Video
Materials Science
Launching, Saving and Importing in MS Maestro
The first video in the Getting Going with Materials Science (MS) Maestro Video Series.
Video
Materials Science
Measurements and Manual Adjustments in MS Maestro
The fifth video in the Getting Going with Materials Science (MS) Maestro Video Series.
Video
Materials Science
Finding Help and Educational Materials for MS Maestro
The fourth video in the Getting Going with Materials Science (MS) Maestro Video Series.
Video
Materials Science
Mouse Actions, Selection, Inclusion and the Entry List in MS Maestro
The third video in the Getting Going with Materials Science (MS) Maestro Video Series.
Video
Materials Science
Navigating MS Maestro’s Graphical User Interface
The second video in the Getting Going with Materials Science (MS) Maestro Video Series.
Case Studies
Case Study
Materials Science
- Jul 11, 2025
Advancing sustainable food processing through integrated experimental and molecular simulation approaches
Scientists from Schrödinger and UMass carried out comprehensive studies experimentally and computationally to investigate the key properties and extrusion performance of zein-formulated meat alternatives.
Case Study
Life Science
Materials Science
Case Study
Materials Science
Documentation
- Documentation
Complex Bilayer Builder Panel
Build single or multi-component lipid membranes with or without an embedded membrane protein.
- Documentation
Membrane Analysis Panel
Calculate structural properties for a lipid membrane over the selected frames of a trajectory.
- Documentation
Membrane Analysis Viewer Panel
View plots of the structural properties of a lipid over the course of a molecular dynamics trajectory, generated using the Membrane Analysis panel.
Events
Webinar
Life Science
- Dec 2, 2025
Rethinking the rules: Exploiting solvent exposed salt-bridge interactions with free energy perturbation simulations for the discovery of potent inhibitors of SOS1
In this webinar, we will walk you through the SOS1 program, as well as our exploration of other examples where these salt-bridge interactions are influential.
Event
Life Science
- Dec 2nd-4th, 2025
8th Annual RNA – Targeted Drug Discovery & Development Summit
Schrödinger is excited to be participating in the 8th Annual RNA – Targeted Drug Discovery & Development Summit conference taking place on December 2nd – 4th in Boston, Massachusetts.
Webinar
Life Science
- Dec 4, 2025
Building a biotech: Enabling a successful digital drug discovery program with a connected platform
Join us to see how this powerful solution can accelerate your DMTA cycles and enable your teams – this isn’t about complex simulations, it’s about giving your team the tools they need to make better decisions, faster.
Training Videos
Video
Materials Science
Getting Going with Materials Science Maestro Video Series
A free video series introducing the basics of using Materials Science Maestro.
Video
Materials Science
Schrödinger’s Materials Science Builder Series: Single Complex Builder
The video demonstrates how to use the Single Complex Builder panel within Schrödinger’s Materials Science Suite to build organometallic complexes.
Video
Materials Science
Schrödinger’s Materials Science Builder Series: Enumerate Adsorbates
The video demonstrates how to use the Enumerate Adsorbates panel within Schrödinger’s Materials Science Suite to build adsorbate structures for when a gas-phase molecule adsorbs on a solid substrate.
Publications
- Publication
- Jan 1, 2026
Insights into electrolyte reactivity at the Li metal surface from density functional theory
Agarwal, et al. Computational Materials Science, 2026, 261, 114278
- Publication
- Nov 4, 2025
Atomic Layer Deposition of NiOx: Harnessing the Potential of New Precursor Combinations for Photoelectrochemical Water Oxidation
Kannampalli, et al. Journal of Materials Chemistry A, 2025
- Publication
- Oct 29, 2025
Screening Antioxidant Ingredients Using Quantum Mechanics and Machine Learning
Haidong, et al. HPC Today, 2025
Quick Reference Sheets
- Quick Reference Sheet
Materials Science Panel Explorer
Get an overview of the Materials Science Panel Explorer panel for filtering for tools of interest.
- Quick Reference Sheet
Coarse Grained Mapping
Get an overview of the Coarse Grained Mapping panel for mapping all-atom structures to coarse grained models.
- Quick Reference Sheet
Visualize Restraints
Get an overview of the Visualize Restraints panel for displaying restraints in a cms structure.
Tutorials
- Tutorial
Introduction to Materials Science Maestro Tutorial
An introduction to Materials Science Maestro, covering basic navigation, an intro to building models and several of the key functionalities of the graphical user interface.
- Tutorial
Disordered System Building and Molecular Dynamics Multistage Workflows
Learn to use the Disordered System Builder and Molecular Dynamics Multistage Workflow panels to build and equilibrate model systems.
- Tutorial
Introduction to Geometry Optimizations, Functionals and Basis Sets
Perform geometry optimizations on simple organic molecules and learn basics regarding functionals and basis sets.
Webinars
Webinar
Materials Science
- Dec 11, 2025
Getting started in polymer compute-driven design: Predicting glass transition temperature in the Materials Science Suite
Learn from a live demo of building polymers and polymer formulations and running a Tg prediction workflow.
Webinar
Life Science
Materials Science
- Nov 26, 2025
医薬品原薬形態開発における計算手法の活用
NOV 26, 2025 | 演者が考える研究段階から開発段階にかけての原薬形態選択の戦略の全体像を概説し、さらにデザインスペースの構築に計算的手法を用いた共結晶スクリーニングと、結晶構造予測による原薬形態のリスク評価の実例を紹介します。
Webinar
Materials Science
- Nov 18, 2025
Digital forum on atomic layer deposition: Bridging theory and experiment to design a process for silicon carbonitride
Join us as we discuss how effectively theory and experiment are working together to solve the R&D challenges facing high-tech industries.
White Papers
White Paper
Materials Science
White Paper
Materials Science
White Paper
Materials Science
Latest insights from Extrapolations blog
Blog
How L’Oreal Uses Digital Simulation to Explore Sustainable Product Ingredients
Most of us could name at least one cosmetic or personal care product that’s essential to looking and feeling our best. Whether it’s a specific kind of soap, a brand of mascara, the right shade of lipstick or the shampoo that works best for our hair, these products have become a critical part of our daily routine.
Uncovering Better Materials for the Spacecraft of Tomorrow
When it comes to solving problems for his job, the work done by Dr. Levi Moore actually is rocket science. As a research chemist with the United States Air Force Research Laboratory, he’s tasked with helping to develop new materials that make it easier and safer to launch rockets into space.
Sustainable Food Packaging Designed at the Atomic Level
Each year, an estimated 330 million metric tonnes of plastic are produced globally. A significant portion of that plastic becomes waste, clogging landfills, rivers, and the ocean for centuries, damaging ecosystems and negatively impacting human health.
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.
Free learning resources
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