Webinar
Materials Science
- Feb 19, 2025
Virtual testing of personal care and cosmetics formulations using digital chemistry methods
FEB 19, 2025 | ケーススタディを通じて、計算化学が製品開発、容器設計、製品使用時の解析にどのように役立つかを示します。
Webinar
Materials Science
- Nov 12, 2024
Purposeful simulation: Maximising impact in surface chemistry modelling
In this webinar, learn about a variety of atomistic models of surfaces and gain perspective on the underlying rationale, benefits and limitations of each.
Webinar
Life Science
Materials Science
- Nov 6, 2024
Modeling lipid nanoparticles: Self-assembly and apparent pKa calculation
In this webinar, we introduce Schrödinger’s coarse-grained simulation technology that can simulate the formation of LNP structures from a random mixture.
Webinar
Life Science
Materials Science
- Oct 23, 2024
Crystal structure prediction workflow for small molecule drug formulation
In this webinar, we describe how early assessment of crystal polymorphism and thermodynamic solubility continues to be elusive for drug discovery and development despite its critical importance, especially for the ever-increasing fraction of poorly soluble drug candidates.
Webinar
Life Science
Materials Science
- Oct 9, 2024
Molecular-level insight into solubility-enhancement via cosolvents and amorphous solid dispersions
In this webinar, we highlight how molecular models can aid our ability to anticipate challenges prior to candidate selection as well as to quickly understand issues that arise in later stages of development.
Webinar
Materials Science
- Oct 8, 2024
Accelerating the Design of Asymmetric Catalysts with Schrödinger’s Digital Chemistry Platform
In this webinar, we demonstrate how Schrödinger’s advanced digital chemistry platform can be used to accelerate the direct design and discovery of asymmetric catalysts.
Webinar
Materials Science
- Oct 1, 2024
How Physics-based Modeling and Machine Learning Enable Accelerated Development of Battery Materials
In this webinar, we focus on examples to demonstrate the application of automated solutions for accurate prediction of thermodynamic stability and voltage profile of cathode materials, 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
Life Science
Materials Science
- Sep 25, 2024
Computational reactivity and catalysis for drug synthesis
In this webinar, will take an in-depth look at how computational modeling is transforming pharmaceutical synthesis.
Webinar
Materials Science
- Sep 25, 2024
Efficient Computation of Process Parameters for Controlling the Chemistry of Deposition or Etch
In this webinar, we illustrate how atomic-scale DFT can be embedded into higher-level computational schemes for accurate and achievable prediction of the conditions and parameters for controlling chemical processes.
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.
Events
Event
Life Science
- May 11th-15th, 2026
PEGS 2026
Schrödinger is excited to be participating in the PEGS 2026 conference taking place on May 11th – 15th in Boston, Massachusetts.
Webinar
Materials Science
- May 13, 2026
Integrating AI and Machine Learning to Accelerate Composite Resin Formulation
Schrödinger is excited to be hosting a webinar in collaboration with Composites World, taking place on May 13th at 11:00AM EDT.
Event
Materials Science
- May 13th-15th, 2026
高機能素材Week大阪マテリアルDX展出展 @インテックス大阪
展示ブースでは、セミナー開催のほか、先進の技術について専門技術者が解説し、お客様からのご質問にお答えします。 出展ゾーン：マテリアルDX展 小間番号： K21-26
Webinars
Webinar
Materials Science
- May 13, 2026
Integrating AI and Machine Learning to Accelerate Composite Resin Formulation
Schrödinger is excited to be hosting a webinar in collaboration with Composites World, taking place on May 13th at 11:00AM EDT.
Webinar
Materials Science
- May 26, 2026
Accelerating amorphous solid dispersion (ASD) formulation with Schrödinger’s Materials Science Suite
This session will demonstrate how to seamlessly integrate computational insights from mixing energies to glass transition temperatures (Tg) into your existing R&D pipeline to reduce experimental iteration and accelerate time-to-market.
Webinar
Materials Science
- Jun 2, 2026
Accessible and automated computational catalyst discovery and reactivity optimization
In this webinar, we will demonstrate how an end-user physics–AI platform removes barriers to entry, making this process accessible to both experts and non-experts while enabling seamless scalability.
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.
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.
Training Videos
Video
Materials Science
Getting Going with MS Maestro Video Series
A free video series introducing the basics of using Materials Science Maestro.
Video
Materials Science
Launching, Saving and Importing – Getting Going with MS Maestro
Learn Launching, Saving and Importing in the Getting Going with Materials Science (MS) Maestro Video Series.
Video
Materials Science
Navigating the Graphical User Interface – Getting Going with MS Maestro
Learn how to navigate the Graphical User Interface in the Getting Going with Materials Science (MS) Maestro Video Series.
Publications
- Publication
- Jan 20, 2026
Quantum-Enhanced Neural Exchange-Correlation Functionals
Sokolov, et al. Physical Review A, 2026, 113, 012427
- Publication
- Jan 8, 2026
Molecular Dynamics Insights into Ibuprofen Nanocrystal Dissolution Put in the Context of Classical Nucleation Theory
Skrdla, et al. Molecular Pharmaceutics, 2026, 23(2), 1089-1100
- 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
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
White Papers
White Paper
Materials Science
White Paper
Materials Science
White Paper
Materials Science
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.
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