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Events

PEGS 2026 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.

Accessible and automated computational catalyst discovery and reactivity optimization Webinar Materials Science
  • May 13, 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.

Inside the design loop: A day in the life of a digital medicinal chemist Webinar Life Science
  • May 13, 2026
Inside the design loop: A day in the life of a digital medicinal chemist

In this session, we’re stepping away from the high-level overviews to give you an honest look at how medicinal chemists at Schrödinger actually work.

Webinars

Integrating AI and Machine Learning to Accelerate Composite Resin Formulation 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.

Accessible and automated computational catalyst discovery and reactivity optimization Webinar Materials Science
  • May 13, 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.

Accelerating amorphous solid dispersion (ASD) formulation with Schrödinger’s Materials Science Suite 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.

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

Getting Going with MS Maestro Video Series Video Materials Science
Getting Going with MS Maestro Video Series

A free video series introducing the basics of using Materials Science Maestro.

Launching, Saving and Importing – Getting Going with MS 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.

Navigating the Graphical User Interface – Getting Going with MS Maestro 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

Advancing sustainable food processing through integrated experimental and molecular simulation approaches 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.

Advancing lipid nanoparticle development with structure-based modeling platform and services Case Study Life Science Materials Science
The Future of Food: Molecular Simulations and AI/ML Reshaping Product Development Case Study Materials Science

White Papers

Quick Reference Sheets

  • Quick Reference Sheet
Simple Sugar Builder

Get an overview of the Simple Sugar Builder.

  • Quick Reference Sheet
Clean Up Structures

Get an overview of the Clean Up Structures Panel.

  • 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

How L’Oreal Uses Digital Simulation to Explore Sustainable Product Ingredients 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
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
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.