Webinar
Materials Science
- Feb 27, 2023
Vibrational and electronic circular dichroism calculations with Jaguar
In this webinar, we review the existing capabilities of Jaguar with regards to VCD and ECD and show examples of applications of these computational techniques.
Webinar
Materials Science
- Dec 19, 2022
Overview of Molecular Modelling for Formulations
In this webinar, we give an overview of molecular modeling calculations relevant for formulations in the pharmaceuticals, inks, 3D printing, polymers, batteries and agricultural chemicals industries.
Webinar
Materials Science
- Oct 21, 2022
Sublime Precursors: How Modelling Organometallics at Surfaces Drives Innovation in Materials Processing
In this webinar, we look at simulations of organometallic complexes as precursor molecules for the deposition or etching of materials.
Webinar
Materials Science
- Sep 22, 2022
Leveraging Atomic Scale Modeling for Design and Discovery of Next-Generation Battery Materials
In this webinar, we demonstrate how Schrödinger’s advanced digital chemistry platform can be leveraged to accelerate the design and discovery of next-generation battery materials with improved properties.
Webinar
Materials Science
- Sep 15, 2022
Chinese: Driving the development of bio-based polymer materials with molecular simulations | 分子模拟技术推进生物基聚合物材料的发展
生物基聚合物（由可再生资源制成的聚合物材料）的应用正在为各个行业，从消费品包装到碳纤维复合材料，带来整体效益。
Webinar
Materials Science
- Aug 30, 2022
Exploring the formulations of personal care products using a digital chemistry strategy
In this webinar, we demonstrate how to gain insight of individual ingredient behavior and key properties of components in formulation using multi-scale physics simulations
Webinar
Materials Science
- Jun 22, 2022
A paradigm change in the design and optimization of OLED materials using a digital chemistry strategy
In this webinar, we present the impact of in silico technologies for systematic design, development, and selection of organic optoelectronic materials.
Webinar
Materials Science
- Jun 7, 2022
Quick Start Workshop: Materials Simulation for Experimentalists
In this webinar, learn how an experimentalist can take advantage of simulation and modeling, as well as practical knowledge about how to get started.
Webinar
Materials Science
- Jun 2, 2022
Why designing the next generation of sustainable packaging will rely on digital molecular simulations
In this webinar, we demonstrate how molecular simulation can reproduce and predict experimental mechanical and chemical properties of bio-sourced materials, and provide fundamental insights for product development.
Webinar
Materials Science
Webinar
Materials Science
Webinar
Materials Science
- Apr 14, 2022
How digital molecular simulations will drive the next generation of innovation in reformulation and sustainability of consumer-packaged goods
In this webinar, we present the utility of modeling to develop new products, rationalize product (mis)behavior, and understand how modeling can empower researchers to drive innovation will be highlighted.
Case Studies
Case Study
Life Science
Materials Science
Case Study
Materials Science
Case Study
Materials Science
Documentation
Documentation
Materials Science
Materials Science Documentation
Comprehensive reference documentation covering materials science panels and workflows.
- 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.
Events
Event
Materials Science
- Apr 27, 2025
Innovate big, think “small”: Optimizing formulations at the molecular level with physics-powered AI
Join us for this two-hour workshop on the practical applications of molecular scale, physics-informed AI for research scientists.
Event
Materials Science
- Apr 27th-30th, 2025
2025 AOCS Annual Meeting & Expo
Schrödinger is excited to be participating in the 2025 AOCS Annual Meeting & Expo conference taking place on April 27th – 30th in Portland, Oregon.
Event
Materials Science
- May 2, 2025
Digital Formulation: Shaping the Future of Sustainable Medicines Manufacturing
Schrödinger is excited to be participating in the Mesox Symposium taking place on May 2nd in Birmingham, United Kingdom.
Product 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
- Feb 28, 2025
Uncovering the light absorption mechanism of the blue natural colorant allophycocyanin from Arthrospira platensis using molecular dynamics
Buecker, et al. Food Chemistry, 2025, 466, 141834Quick 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
- May 29, 2025
AI/ML-Powered Formulation Design: Accelerating Innovation
Schrödinger is excited to be hosting a webinar with C&EN on May 29th.
Webinar
Life Science
Materials Science
- May 14, 2025
Computational insights into polymer excipient selection for amorphous solid dispersions
In this webinar, we will highlight how molecular models can aid our ability to screen through standard polymer excipients for target lists to push into lab testing.
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.
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