Webinar
Materials Science
- Aug 10, 2020
Surfactant chemistry development for consumer packaged goods enhanced by atomic scale simulation
Surfactants play a key role in formulations from emulsifiers in candy bars to home detergents.
Webinar
Materials Science
- Aug 6, 2020
Perspectives in Computational Materials Design: Progress and Prospects
New strategies for multiparadigm simulations of nanoscale materials with applications to electrocatalysis, Li batteries, micelle formation, and ductile boron carbide.
Webinar
Materials Science
- Aug 6, 2020
Learning to Taste: Application of Deep Learning to Predict the Sweetness of Small Organic Molecules
With the recent developments in machine learning techniques, we use the data available on the taste of existing chemistries to develop efficient data-driven models for taste prediction.
Webinar
Materials Science
- Jul 8, 2020
Enumeration as a Computational Strategy for Automating the Design of CVD and ALD Precursors
The success of chemical-based deposition and etch depends primarily on the choice of gas-phase chemicals.
Webinar
Materials Science
- May 20, 2020
Automated High-throughput In Silico Reaction Screening for Design and Discovery of Enhanced Reactivity and Tailored Chemo-, Regio-, and Stereo-selectivity
First-principles simulation has become a reliable tool for the prediction of structures, chemical mechanisms, and reaction energetics for the fundamental steps in catalysis.
Webinar
Materials Science
- May 14, 2020
Efficient and Accurate Modeling of Thermosets via a Synergistic Combination of Quantum Mechanics and Molecular Dynamics Simulations
Epoxy-amine thermosets, due to their unique properties, are widely used materials in various structural and specialty composites applications.
Webinar
Materials Science
- May 7, 2020
Multiscale modeling of polymer composites
olymer matrix composite materials are critical materials for structural applications especially in the aerospace and automotive industries.
Case Studies
Case Study
Materials Science
Case Study
Materials Science
Case Study
Materials Science
Events
Event
Materials Science
- Dec 13, 2024
SCC78 2024
Schrödinger is excited to be participating in the SCC78 conference taking place on December 11th – 13th in Los Angeles, California.
Event
Life Science
- Dec 15th-18th, 2024
Antibody Engineering & Therapeutics 2024
Schrödinger is excited to be participating in the Antibody Engineering & Therapeutics event taking place on December 13th – 16th in San Diego, California.
Event
Materials Science
- Feb 9th-13th, 2025
The 29th Biennial ORCS Meeting
Schrödinger is excited to be participating in The 29th Biennial ORCS Meeting taking place on February 9th – 13th in Myrtle Beach, South Carolina.
Product Videos
Materials Science
- Aug 15, 2023
Getting Going with Materials Science Maestro Video Series
A free video series introducing the basics of using Materials Science Maestro.
Materials Science
- Nov 20, 2023
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.
Materials Science
- Nov 20, 2023
Building Organometallic Complexes in MS Maestro
The seventh video in the Getting Going with Materials Science (MS) Maestro Video Series: Buidling an organometallic complex.
Publications
- Publication
- Sep 19, 2024
Machine learning-based design of pincer catalysts for polymerization reaction
Dinda S, et al. Journal of Catalysis, 2024, 439, 115766- Publication
- Jun 20, 2024
Complexation mechanisms of aqueous amylose: Molecular dynamics study using 3-pentadecylphenol
Skrdla PJ, et al. Molecular Pharmaceutics, 2024, 21, 7, 3540–3552- Publication
- Jun 28, 2024
Robust and effective ab initio molecular dynamics simulations on the GPU cloud infrastructure using the Schrödinger Materials Science Suite
Fonari, et al. Computational Materials Science, 2024, 244, 113188Quick Reference Sheets
Tutorials
- May 2, 2024
Modeling Receptor Binding in an Olfactory Protein
Learn how to prepare structures for docking and create a protein mutation by modeling an olfactory receptor.
- Jan 30, 2024
Nanoreactor
Learn to leverage the nanoreactor tool to explore chemical compound and reaction space without any prior knowledge of the reaction products.
- Jan 30, 2024
Building a Coarse-Grained Skin Model using Martini Force Field
Build a coarse-grained model of a hydrated skin bilayer with Martini force field parameters using two different methods
Webinars
Webinar
Materials Science
- Nov 12, 2024
Purposeful simulation: Maximising impact in surface chemistry modelling
Schrödinger is excited to be hosting a webinar in collaboration with Chemistry World on November 12th at 8:00 AM EDT.
Webinar
Life Science
Materials Science
- Nov 6, 2024
Computationally-Guided Drug Formulation Webinar Series
Join us this fall for Schrödinger’s Drug Formulation Webinar Series – five webinars in which we will explore how the latest computational modeling tools are impacting the various steps in the pharmaceutical formulation process.
Webinar
Life Science
Materials Science
- Nov 6, 2024
Modeling lipid nanoparticles: Self-assembly and apparent pKa calculation
In this webinar, we will introduce Schrödinger’s coarse-grained simulation technology that can simulate the formation of LNP structures from a random mixture.
White Papers
White Paper
Materials Science
White Paper
Materials Science
White Paper
Materials Science
- Jul 12, 2024
From Molecules to Optics
In this white paper, we demonstrate the synergistic application of Schrödinger and Ansys predictive technologies to accelerate characterization, design and optimization of high-performing OLED materials and devices using a multi-scale multi-physics simulation approach.
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