Webinar
Materials Science
- Mar 29, 2022
Advancing the Understanding of the Starch Structure-function Relationship with Molecular Simulation
In this webinar, learn how the use of molecular dynamics simulations provides critical insight into the structural and dynamic properties of amorphous starch structures.
Webinar
Materials Science
Webinar
Materials Science
Webinar
Materials Science
Webinar
Materials Science
- Sep 9, 2021
How to use Atomistic Simulations of Polymers in an Industrial Setting
In this webinar, we review case studies where this connection has been made and leveraged with molecular simulation in consumer packaging and adhesive materials.
Webinar
Materials Science
- Aug 17, 2021
Moving Beyond Spreadsheets: Rational Design of Materials Using Advanced Informatics and Machine Learning
In this webinar, Schrödinger’s Dr. Yuling An will demonstrate that machine learning, which often ignores the underlying physics, and physics-based modeling, which may require intensive computing resources, can naturally complement each other to create not only predictive models but also new materials with desired properties over an extensive design space.
Webinar
Materials Science
- Jul 22, 2021
Data Scarcity? No Problem. Combining Machine Learning and Physics-based Simulations for Smart Design of Materials
In this webinar, we demonstrate this idea over a few recent case studies including in organic electronics, aerospace, automotive, and semiconductor industry.
Webinar
Materials Science
- May 11, 2021
A chemist’s view on R&D digitalization
In this webinar, we illustrate how the integration of Schrödinger’s machine learning technologies with physics based modelling can be utilized to predict properties of new materials.
Webinar
Materials Science
- May 10, 2021
Chinese webinar: Polymer innovation with computational chemistry
In this webinar, we review computational chemistry developed for polymers and how it has become a practical tool for polymer research engineers and scientists to have in their toolbox.
Webinar
Materials Science
- Apr 28, 2021
Leveraging a molecular modeling platform to drive innovation in flavors and ingredients research for the food and beverage industry
In this webinar, we explore the state of the art in molecular modeling of flavors and ingredients.
Webinar
Materials Science
- Apr 8, 2021
Accelerating innovation for polymeric materials with molecular modeling
In this webinar, we review how molecular modeling has become a practical and important tool for polymer research engineers and scientists to have in their toolbox.
Webinar
Materials Science
Case Studies
Case Study
Materials Science
Case Study
Materials Science
Case Study
Materials Science
Documentation
- Documentation
Materials Science Panel Explorer
Quickly learn which Schrödinger tools are the best fit for your research.
- Documentation
Online Help and Documentation
An online resource of information and instruction on how to use Schrödinger software including user manuals, panel descriptions, installation guides, reference sheets, tutorials, and more.
Documentation
Materials Science
Materials Science Documentation
Comprehensive reference documentation covering materials science panels and workflows.
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
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
Building Organometallic Complexes in MS Maestro
The seventh video in the Getting Going with Materials Science (MS) Maestro Video Series: Buidling an organometallic complex.
Publications
- Publication
- Mar 17, 2025
Leveraging high-throughput molecular simulations and machine learning for the design of chemical mixtures
Chew, et al. npj Computational Matererials, 2025, 11, 72- Publication
- Mar 5, 2025
A robust crystal structure prediction method to support small molecule drug development with large scale validation and blind study
Zhou, et al. Nature Communications, 2025, 16, 2210- Publication
- Dec 10, 2024
Calculating apparent pKa values of ionizable lipids in lipid nanoparticles
Hamilton, et al. Molecular Pharmaceutics, 2024Quick Reference Sheets
Tutorials
Tutorial
Materials Science
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
- Apr 16, 2025
Accelerating OLED innovation with multi-scale, multi-physics simulations
Join us to explore how integrated digital workflows drive the design of next-generation, high-performance OLEDs.
Webinar
Life Science
Materials Science
- Apr 8, 2025
Accelerating pharmaceutical formulations using machine learning approaches
In this webinar, we will demonstrate how Schrödinger’s integrated ML- and physics-based approaches are transforming pharmaceutical formulation design.
Webinar
Materials Science
- Feb 26, 2025
High-performance materials discovery: A decade of cloud-enabled breakthroughs
This talk will showcase how Schrödinger’s integrated materials science platform enables massive parallel screening and de novo design campaigns across diverse applications.
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