Webinar
Materials Science
- Sep 27, 2024
AI/ML meets physics-based simulations: A new era in complex materials design
In this webinar, we demonstrate the application of this combined approach in designing materials and formulations across diverse materials science applications, from battery electrolytes and fuel mixtures to thermoplastics and OLED devices.
Webinar
Materials Science
- Sep 18, 2024
Harnessing Molecular Modeling to transform innovation in Polymeric Materials and Consumer Packaged Goods
In this webinar, we highlight Schrödinger’s Materials Science tools that can accelerate R&D efforts in these scientific domains.
Webinar
Life Science
Materials Science
- Nov 6, 2024
Computationally-Guided Drug Formulation Webinar Series
In this webinar series, we explore how the latest computational modeling tools are impacting the various steps in the pharmaceutical formulation process.
Webinar
Materials Science
- Oct 9, 2024
Webinar Series: From Molecules to Materials Applications
In this webinar series, we present molecular modeling techniques and their transformative impact on Materials Science research using the Schrödinger Materials Science tools.
Webinar
Life Science
Materials Science
- Sep 11, 2024
Characterizing small drug-like molecules with automated computational spectra prediction
In this webinar, we present examples that demonstrate the use of Jaguar Spectroscopy to typical modeling scenarios involving flexible drug-like molecules.
Webinar
Materials Science
- Sep 11, 2024
Molecular Modeling: A Key to Solving Real-Life Challenges in Pharma Formulations
In this webinar, we describe how the demand for innovative drug delivery methods has driven researchers to explore the intricate structure-property relationships within pharmaceutical formulations.
Webinar
Materials Science
- Aug 7, 2024
Leveraging atomistic simulation, machine learning, and cloud-based collaborative ideation for display materials discovery
In this webinar, we explore the union of physics-based simulations, machine learning (ML), and cloud-native collaboration and informatics tools in revolutionizing R&D innovation for display materials.
Webinar
Materials Science
- Aug 6, 2024
Computational Catalysis at Schrödinger
In this webinar, we highlight the digital simulation tools specifically for Catalysis & Reactivity.
Webinar
Materials Science
- Jun 26, 2024
Electrodes, electrolytes & interfaces: Harnessing molecular simulation and machine learning for rapid advancements in battery materials development
In this webinar, we demonstrate the application of automated solutions for accurate prediction of thermodynamic stability and voltage profile of cathode, ion diffusion pathways and kinetics in electrode materials, transport properties of liquid electrolytes and modeling the nucleation and growth of solid electrolyte interphase (SEI) layers using Schrödinger’s SEI simulator module.
Webinar
Materials Science
- Jun 4, 2024
Schrödinger Materials Science Seminar Japan 2024
《無料Webセミナー》材料開発向けシミュレーション・ソフトウェアおよびマテリアルズ・インフォマティクスの活用事例を紹介。
Webinar
Materials Science
- May 29, 2024
Taking experimentation digital: Materials innovation using atomistic simulation and machine learning at-scale
In this webinar, we introduce a modern approach to materials R&D using a digital chemistry platform for in silico analysis, optimization and discovery.
Webinar
Materials Science
- May 9, 2024
Beyond AI: The importance of physics-based simulations in next generation food design
In this webinar, we explore how physics-based simulations are used in food research and the synergy that can be achieved when they are combined with machine learning models.
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