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  • Publication
  • Aug 21, 2023
Structure and energetics of hydroxyl-terminated polybutadiene via density functional theory
Buszek, et al. Propellants, Explosives, Pyrotechnics, 2023, 48(9), e202300123
  • Publication
  • Aug 11, 2023
Benzene Tetraamide: A covalent supramolecular dual motif in dynamic covalent polymer networks
Zhang, et al. Macromolecules, 2023, 56(16), 6452–6460
  • Publication
  • Sep 22, 2023
Length-scale discrepancy in the properties of epoxy resin specimens
Laurikainen, et al. Polymer, 2023, 283, 126148
  • Publication
  • Aug 29, 2023
Probabilistic approach to low strain rate atomistic simulations of ultimate tensile strength of polymer crystals
Cobeña-Reyes, et al. J. Chem. Theory Comput., 2023, 19(18), 6326–6331
  • Publication
  • Feb 15, 2023
Designed for circularity: Chemically recyclable and enzymatically degradable biorenewable Schiff Base polyester-imines
Subramaniyan, et al. ACS Sustainable Chem. Eng., 2023, 11(8), 3451–3465
  • Publication
  • Dec 10, 2023
Investigation of drug-polymer miscibility and design of ternary solid dispersions for oral bioavailability enhancement by Hot Melt Extrusion
Pisay, et al. Journal of Drug Delivery Science and Technology, 2023, 90, 105107
  • Publication
  • Sep 20, 2023
Improvement of electrolytes for aluminum ion batteries: A molecular dynamics study
Kosar, et al. J. Chem. Phys., 2023, 159, 144503

Case Studies

Events

Purposeful simulation: Maximising impact in surface chemistry modelling 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.

Publications

Webinars

Purposeful simulation: Maximising impact in surface chemistry modelling 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.

Computationally-Guided Drug Formulation Webinar Series 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 Series: From Molecules to Materials Applications Webinar Materials Science
  • Oct 9, 2024
Webinar Series: From Molecules to Materials Applications

This webinar series “From molecules to Materials Applications” will delve into molecular modeling techniques and their transformative impact on Materials Science research using the Schrödinger Materials Science tools.

White Papers

Materials Science Informatics White Paper Materials Science
Organic Electronics 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.

Closing the gap between material discovery and engineering design with multiscale simulation White Paper Materials Science
  • May 6, 2024
Closing the gap between material discovery and engineering design with multiscale simulation

This white paper presents a multiscale modeling framework for designing and characterizing fiberreinforced composites using technologies from Schrödinger and Ansys.

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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.