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
- May 14, 2025
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 electrode materials.
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
- 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
Machine Learning Force Fields
Machine Learning Force Fields (MLFFs) offer a novel approach for predicting the energies of arbitrary systems.
- Documentation
MS Transport
Efficient molecular dynamics (MD) simulation tool for predicting liquid viscosity and diffusions of atoms and molecules.
Events
Event
Materials Science
- Oct 17, 2025
SEPAWA CONGRESS 2025
Schrödinger is excited to be participating in the SEPAWA CONGRESS 2025 conference taking place on October 15th – 17th in Berlin, Germany.
Webinar
Materials Science
- Oct 29, 2025
Advancing battery materials innovation using charge-aware machine learning force fields
In this webinar, we will demonstrate how Schrödinger is utilizing an integrated computational approach combining physics-based molecular modeling with machine learning force fields (MLFFs) to address key challenges in battery materials design.
Webinar
Life Science
- Oct 31, 2025
Schrödinger デジタル創薬セミナー: Into the Clinic ~計算化学がもたらす創薬プロセスの変貌~ 第20回
In silico cryptic binding site detection and prioritization
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: Disordered System Builder
The video demonstrates how to use the Disordered System Builder within Schrödinger’s Materials Science Suite to prepare systems for molecular dynamics simulations.
Video
Materials Science
Schrödinger’s Materials Science Builder Series: 2D Sketcher
This video demonstrates how to use the 2D Sketcher within Schrödinger’s Materials Science Maestro for building and editing molecules, covering its toolbar, drawing area, and various palettes.
Publications
- Publication
- May 9, 2025
Efficient long-range machine learning force fields for liquid and materials properties
Weber JL, et al. arXiv, 2025, Preprint- 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, 2210Quick Reference Sheets
- 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.
- Quick Reference Sheet
ML Model Manager
Get an overview of the ML Model Manager for organizing and retraining outdated ML models.
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
- Oct 29, 2025
Advancing battery materials innovation using charge-aware machine learning force fields
In this webinar, we will demonstrate how Schrödinger is utilizing an integrated computational approach combining physics-based molecular modeling with machine learning force fields (MLFFs) to address key challenges in battery materials design.
Webinar
Materials Science
- Nov 13, 2025
Accelerating product development with computational materials engineering
Learn how Ansys and Schrödinger are transforming product development with Integrated Computational Materials Engineering (ICME) to accelerate material discovery and innovation.
Webinar
Materials Science
- Oct 15, 2025
難溶性薬物の放出メカニズムを解明する – ASD研究の新たなアプローチModelling amorphous solid dispersion (ASD) release mechanisms
AbbVie と Schrödinger のエキスパートが、ASDにおける薬物放出やLoss of Release のメカニズムを、熱力学モデリング・分子シミュレーション・実験研究 を組み合わせた最新の研究成果を基に解説します。
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