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Methodology
Frontiers in Digital Chemistry: Industry Summit Event Materials Science
  • Jun 9th-10th, 2026
Frontiers in Digital Chemistry: Industry Summit

Schrödinger is pleased to host the inaugural Frontiers in Digital Chemistry: Industry Summit, an in-person gathering dedicated to the digital chemistry community.

Schrödinger Medicinal Chemistry Symposium 2026 Event Life Science
  • Jun 16, 2026
Schrödinger Medicinal Chemistry Symposium 2026

Join us for the inaugural Schrödinger Medicinal Chemistry Symposium, an event specifically curated for the medicinal chemistry community.

14th Antibody Industrial Symposium 2026 Event Life Science
  • Jun 30th – Jul 1st, 2026
14th Antibody Industrial Symposium 2026

Schrödinger is excited to be participating in the 14th Antibody Industrial Symposium conference taking place on June 30th – July 1st in Montpellier, France.

RICT 2026 Event Life Science
  • Jul 1st-3rd, 2026
RICT 2026

Schrödinger is excited to be participating in the RICT 2026 – 60th edition of the International Conference on Medicinal Chemistry taking place on July 1st – 3rd in Paris, France.

CRS 2026 Event Life Science
  • Jul 6th-9th, 2026
CRS 2026

Schrödinger is excited to be participating in the CRS 2026 conference taking place on July 6th – 9th in Lisbon, Portugal.

Battery Seminar 2026 Event Materials Science
  • Jul 14th-16th, 2026
Battery Seminar 2026

Schrödinger is excited to be participating in the Battery Seminar 2026 conference taking place on July 14th – 16th in San Jose, California.

EFMC Medicinal Chemistry 2026 Event Life Science
  • Sep 6th-10th, 2026
EFMC Medicinal Chemistry 2026

Schrödinger is excited to be participating in the EFMC Medicinal Chemistry 2026 conference taking place on September 6th – 10th in Basel, Switzerland.

BioTechX 2026 Event Life Science
  • Oct 6th-8th, 2026
BioTechX 2026

Schrödinger is excited to be participating in the BioTechX conference taking place on October 6th – 8th in Basel, Switzerland.

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.

The unified antibody workbench: Optimizing antibody candidate selection through centralized team collaboration Webinar Life Science
  • Apr 8, 2026
The unified antibody workbench: Optimizing antibody candidate selection through centralized team collaboration

Join us for an interactive webinar where we showcase the power of LiveDesign for Biologics in a live demo and walk you through how you can quickly start benefiting from this powerful enterprise informatics platform today!

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.

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.