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Methodology
Standing out in a competitive landscape: The power of structure-based biologics design Webinar Life Science
  • Apr 23, 2026
Standing out in a competitive landscape: The power of structure-based biologics design

Join our upcoming webinar to learn how to leverage advanced in silico methods to de-risk your molecules and increase your experimental success rates.

Schrödinger デジタル創薬セミナー ~計算化学がもたらす創薬プロセスの変貌~ 第24回 Webinar Life Science
  • Apr 24, 2026
Schrödinger デジタル創薬セミナー ~計算化学がもたらす創薬プロセスの変貌~ 第24回

Diverse computational strategies enable the discovery of p38α-MK2 molecular glues

Educator’s Week 2026 Webinar Life Science
  • Apr 28th-30th, 2026
Educator’s Week 2026

Join us for a series of live webinar presentations from leading educators at top academic institutions, as well as talks by Schrödinger scientists.

AOCS Annual Meeting & Expo 2026 Event Materials Science
  • May 3rd-6th, 2026
AOCS Annual Meeting & Expo 2026

Schrödinger is excited to be participating in the AOCS Annual Meeting & Expo 2026 conference taking place on May 3rd – 6th in New Orleans, Louisiana.

SID Display Week 2026 Event Materials Science
  • May 3rd-8th, 2026
SID Display Week 2026

Schrödinger is excited to be participating in the SID Display Week 2026 conference taking place on May 3rd – 8th in Los Angeles, California.

Alchemistry Workshop in Free Energy Methods for Drug Design 2026 Event Life Science
  • May 4th-6th, 2026
Alchemistry Workshop in Free Energy Methods for Drug Design 2026

Schrödinger is excited to be participating in the Alchemistry Workshop in Free Energy Methods for Drug Design taking place on May 4th – 6th in Barcelona, Spain.

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.

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.

Peter O. Stahl Advanced Design Forum 2026 Event Materials Science
  • May 14th-15th, 2026
Peter O. Stahl Advanced Design Forum 2026

Schrödinger is excited to be participating in the Peter O. Stahl Advanced Design Forum taking place on May 14th – 15th in Wayzata, Minnesota.

17th Global Drug Delivery & Formulation Summit Event Life Science Materials Science
  • May 18th-20th, 2026
17th Global Drug Delivery & Formulation Summit

Schrödinger is excited to be participating in the 17th Global Drug Delivery & Formulation Summit taking place on May 18th – 20th in Berlin, Germany.

Bio-IT 2026 Event Life Science
  • May 19th-21st, 2026
Bio-IT 2026

Schrödinger is excited to be participating in the Bio-IT 2026 conference taking place on May 19th – 21st in Boston, Massachusetts.

Suppliers’ Day 2026 Event Materials Science
  • May 19th-20th, 2026
Suppliers’ Day 2026

Schrödinger is excited to be participating in the Supplier’s Day 2026 conference taking place on May 19th – 20th in New York, New York.

Events

2026 Annual Spring Meeting of the Polymer Society of Korea Event Materials Science
  • Apr 8th-10th, 2026
2026 Annual Spring Meeting of the Polymer Society of Korea

Schrödinger is excited to be participating in the 2026 Annual Spring Meeting of the Polymer Society of Korea conference taking place on April 8th – 10th in Daejeon, Korea.

Beyond the bench: Getting started with molecular dynamics simulations Webinar Materials Science
  • Apr 9, 2026
Beyond the bench: Getting started with molecular dynamics simulations

Join Schrödinger’s Katie Dahlquist, as she’ll show you how Desmond can be used to improve your development.

2026 CMC Conference Event Materials Science
  • Apr 14th-16th, 2026
2026 CMC Conference

Schrödinger is excited to be participating in the 2026 CMC Conference conference taking place on April 14th – 16th in Portland, Oregon.

Webinars

Beyond the bench: Getting started with molecular dynamics simulations Webinar Materials Science
  • Apr 9, 2026
Beyond the bench: Getting started with molecular dynamics simulations

Join Schrödinger’s Katie Dahlquist, as she’ll show you how Desmond can be used to improve your development.

Fast, accurate, and tunable: Advancing battery materials innovation with Schrödinger’s Machine Learning Force Fields Webinar Materials Science
  • Apr 15, 2026
Fast, accurate, and tunable: Advancing battery materials innovation with Schrödinger’s Machine Learning Force Fields

Join us for live demos showcasing applications of MLFFs for accurate modeling of complex systems including liquid and solid-state electrolytes.

Transforming Clean Label Innovation in FMCG via Physics-Powered AI and Predictive Modeling Webinar Materials Science
  • Apr 16, 2026
Transforming Clean Label Innovation in FMCG via Physics-Powered AI and Predictive Modeling

Join us for a webinar with Innovation Research Interchange and learn how the Fast-Moving Consumer Goods (FMCG) sector is currently navigating a significant transition driven by a global consumer shift toward “clean label” products and high-transparency ingredient lists.

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

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

Schrödinger’s Materials Science Builder Series: Single Complex Builder Video Materials Science
Schrödinger’s Materials Science Builder Series: Single Complex Builder

The video demonstrates how to use the Single Complex Builder panel within Schrödinger’s Materials Science Suite to build organometallic complexes.

Schrödinger’s Materials Science Builder Series: Enumerate Adsorbates Video Materials Science
Schrödinger’s Materials Science Builder Series: Enumerate Adsorbates

The video demonstrates how to use the Enumerate Adsorbates panel within Schrödinger’s Materials Science Suite to build adsorbate structures for when a gas-phase molecule adsorbs on a solid substrate.

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
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.

  • Quick Reference Sheet
Coarse Grained Mapping

Get an overview of the Coarse Grained Mapping panel for mapping all-atom structures to coarse grained models.

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.