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  • Publication
  • Jan 3, 2023
Surfactant-Impregnated MOF-Coated Fabric for Antimicrobial Applications
Gregory R. Schwenk, et al. ACS Applied Bio Materials, 2023, 6(1), 238-245
  • Publication
  • Feb 11, 2023
Antibacterial, Antioxidant, and in silico NADPH Oxidase Inhibition Studies of Essential Oils of Lavandula dentata against Foodborne Pathogens
“Youness El Abdali, et al. Evidence-Based Complementary and Alternative Medicine, 2023, 2023, 1-12
  • Publication
  • Feb 5, 2023
Multiscale calculation of carrier mobility in organic solids through the fine-tuned kinetic Monte Carlo simulation
Gyubong Kim, Computational Materials Science, 2022, 218(5), 111957
  • Publication
  • Apr 21, 2022
A Computer Simulation Study of Thermal and Mechanical Properties of Poly(Ionic Liquid)s
Youngseon Shim, et al. Membranes, 2022, 12(5)
  • Publication
  • Apr 21, 2022
The influence of axial fluorination of SubPc on the photoresponse performances of small-molecule organic photodiodes
Feifei Fang, et al. Journal of Materials Chemistry C, 2022, 40
  • Publication
  • Mar 1, 2022
A Molecular-Switch-Embedded Organic Photodiode for Capturing Images against Strong Backlight
Mingyun Kang, et al. Advanced Materials, 2022, 34(17), 2200526
  • Publication
  • Oct 12, 2022
Dense Local Triplet States and Steric Shielding of a Multi-Resonance TADF Emitter Enable High-Performance Deep-Blue OLEDs
Hyung-Jin Cheon, et al. Advanced Materials, 2022, 34(50), 2207416
  • Publication
  • Jan 1, 2022
Theoretical predictions of nonlinear optical characteristics of Y-type chromophores with quinoxaline moieties in a bridge
Alina I. Levitskay, et al. Computational and Theoretical Chemistry, 2022, 1207, 113535
  • Publication
  • Dec 15, 2022
Control of the horizontal dipole ratio and emission color of deep blue tetradentate Pt(II) complexes using aliphatic spacer groups
Jin-Suk Huh, et al. Chemical Engineering Journal, 2022, 450(1), 137836
  • Publication
  • Aug 3, 2022
Manipulating Spectral Width and Emission Wavelength towards Highly Efficient Blue Asymmetric Carbazole Fused Multi-Resonance Emitters
Hyuna Lee, et al. ACS Applied Materials & Interfaces, 2022, 14(32), 36927-36935
  • Publication
  • Oct 14, 2022
Inducing Singlet Fission in Perylene Thin Films by Molecular Contortion
Shantao Sun, et al. The Journal of Physical Chemistry A, 2022, 126(42), 7559-7565

Case Studies

Product Videos

Getting Going with Materials Science Maestro Video Series 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.

Publications

Quick 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

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.