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Methodology
Force Field Builder Webinar Materials Science
  • Aug 6, 2025
Advancing machine learning force fields for materials science applications

In this webinar, we will introduce Schrödinger’s state-of-the-art MLFF architecture, called Message Passing Network with Iterative Charge Equilibration (MPNICE), which incorporates explicit electrostatics for accurate charge representations.

Organic Electronics Webinar Materials Science
  • Jun 19, 2025
Schrödinger 디지털 플랫폼 솔루션을 응용한 디스플레이 소재/소자 및 배터리 소재 기술의 혁신

최근 계산과학과 신소재기술의 발전에 힘입어, 컴퓨터를 활용한 디지털 재료 설계 솔루션을 보다 쉽고 빠르게 연구개발에 적용할 수 있는 기회가 마련되었습니다.

Accelerating chemical innovation with AI/ML: Breakthroughs across materials applications Webinar Materials Science
  • Jun 17, 2025
Accelerating chemical innovation with AI/ML: Breakthroughs across materials applications

In this webinar, we will explore how AI/ML is driving impactful advancements in materials innovation, highlighting case studies that illustrate cutting-edge ML techniques in diverse applications.

Modelling amorphous solid dispersion (ASD) release mechanisms Webinar Life Science Materials Science
  • Jun 10, 2025
Modelling amorphous solid dispersion (ASD) release mechanisms

In this webinar, AbbVie and Schrödinger will present the results of a study using a combination of Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT) thermodynamic modeling and molecular simulation to investigate the release mechanism and the occurrence LoR of an ASD formulation.

AI/ML-Powered Formulation Design: Accelerating Innovation Webinar Materials Science
  • May 29, 2025
AI/ML-Powered Formulation Design: Accelerating Innovation

Schrödinger is excited to be hosting a webinar with C&EN on May 29th.

Computational insights into polymer excipient selection for amorphous solid dispersions Webinar Life Science Materials Science
  • May 14, 2025
Computational insights into polymer excipient selection for amorphous solid dispersions

In this webinar, we will highlight how molecular models can aid our ability to screen through standard polymer excipients for target lists to push into lab testing.

Accelerating OLED innovation with multi-scale, multi-physics simulations Webinar Materials Science
  • Apr 16, 2025
Accelerating OLED innovation with multi-scale, multi-physics simulations

Join us to explore how integrated digital workflows drive the design of next-generation, high-performance OLEDs.

Accelerating pharmaceutical formulations using machine learning approaches Webinar Life Science Materials Science
  • Apr 8, 2025
Accelerating pharmaceutical formulations using machine learning approaches

In this webinar, we will demonstrate how Schrödinger’s integrated ML- and physics-based approaches are transforming pharmaceutical formulation design.

High-performance materials discovery: A decade of cloud-enabled breakthroughs Webinar Materials Science
  • Feb 26, 2025
High-performance materials discovery: A decade of cloud-enabled breakthroughs

This talk will showcase how Schrödinger’s integrated materials science platform enables massive parallel screening and de novo design campaigns across diverse applications.

Virtual testing of personal care and cosmetics formulations using digital chemistry methods 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。

Purposeful simulation: Maximising impact in surface chemistry modelling 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.

Modeling lipid nanoparticles: Self-assembly and apparent pKa calculation 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.

Case Studies

Documentation

  • Documentation
KNIME Extensions

Schrödinger KNIME extensions of more than 160 nodes and provides access to a wealth of ligand- and structure-based tools from the Schrödinger Suite.

  • Documentation
Jaguar

A well-validated, robust, high-performance quantum mechanics package.

  • Documentation
Force Field Builder

Customize torsions not explicitly included in the OPLS4 or OPLS5 force field by fitting to quantum-mechanical calculations for a set of molecules.

Events

IFT First Annual Event and Expo 2025 Event Materials Science
  • Jul 13th-16th, 2025
IFT First Annual Event and Expo 2025

Schrödinger is excited to be participating in the IFT First Annual Event and Expo 2025 conference taking place on June 13th – 16th in Chicago, Illinois.

CRS 2025 Event Materials Science
  • Jul 14th-18th, 2025
CRS 2025

Schrödinger is excited to be participating in the CRS Annual Meeting 2025 taking place on July 14th – 18th in Philadelphia, Pennsylvania.

Expand the impact of structural biology on drug design Webinar Life Science

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.

Polymers: Schrödinger’s Materials Science Builder Series Video Materials Science
Polymers: Schrödinger’s Materials Science Builder Series

This video showcases a workflow for polymer modeling, including building, simulating, and analyzing polymer models, and exporting to PyMOL for movie creation.

Building Small Molecules in MS Maestro Video Materials Science
Building Small Molecules in MS Maestro

The sixth video in the Getting Going with Materials Science (MS) Maestro Video Series: 2D Sketcher, 3D Builder, and Force Field Minimization.

Publications

Quick Reference Sheets

  • Quick Reference Sheet
Microkinetics Deposition Analysis

Get an overview of the Microkinetics Deposition Analysis panel analyzing microkinetic modeling calculation results for deposition processes.

  • Quick Reference Sheet
CREST

Get an overview of the CREST panel covering conformational search for small molecule using CREST.

  • Quick Reference Sheet
Refractive Index

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

Force Field Builder Webinar Materials Science
  • Aug 6, 2025
Advancing machine learning force fields for materials science applications

In this webinar, we will introduce Schrödinger’s state-of-the-art MLFF architecture, called Message Passing Network with Iterative Charge Equilibration (MPNICE), which incorporates explicit electrostatics for accurate charge representations.

Organic Electronics Webinar Materials Science
  • Jun 19, 2025
Schrödinger 디지털 플랫폼 솔루션을 응용한 디스플레이 소재/소자 및 배터리 소재 기술의 혁신

최근 계산과학과 신소재기술의 발전에 힘입어, 컴퓨터를 활용한 디지털 재료 설계 솔루션을 보다 쉽고 빠르게 연구개발에 적용할 수 있는 기회가 마련되었습니다.

Accelerating chemical innovation with AI/ML: Breakthroughs across materials applications Webinar Materials Science
  • Jun 17, 2025
Accelerating chemical innovation with AI/ML: Breakthroughs across materials applications

In this webinar, we will explore how AI/ML is driving impactful advancements in materials innovation, highlighting case studies that illustrate cutting-edge ML techniques in diverse applications.

White Papers

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.