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  • Publication
  • Oct 9, 2023
Understanding the Effect of the Oil-to-Surfactant Ratio on Eugenol Oil-in-Water Nanoemulsions Using Experimental and Molecular Dynamics Investigations
Debraj, et al. Industrial & Engineering Chemistry Research, 2023, 62(41), 16766–16776
  • Publication
  • Jan 15, 2024
Probing the photostability of avobenzone with N-acetylcysteine using UV spectroscopy, computational studies and integration into aloe vera gel
Sahoo, et al. Journal of Photochemistry and Photobiology A: Chemistry, 2024, 447, 115196
  • Publication
  • Sep 7, 2023
Predicting Emission in Substituted N-Alkyl Carbazoles to Create New Mechanoluminescent Molecules
Malme, et al. Chemistry Select, 2023, 8(34), e202300508
  • Publication
  • Mar 16, 2023
Development of Scalable and Generalizable Machine Learned Force Field for Polymers
Shaswat Mohanty, et al. ChemRxiv, 2023, Pre-print
  • Publication
  • Sep 26, 2022
Benchmarking Machine Learning Descriptors for Crystals
Aditya Sonpal, et al. Machine Learning in Materials Informatics: Methods and Applications, 2022, 1416, 111-126
  • Publication
  • Sep 20, 2018
Bitter or not? BitterPredict, a tool for predicting taste from chemical structure
Dagan-Wiener, et al. Scientific Reports, 2017, 7(12074), 12074
  • Publication
  • Aug 30, 2016
Virtual Screening for OLED Materials
Halls, et al. Proceedings of SPIE 9183, Organic Light Emitting Materials and Devices XVIII, 2014, 91832G

Case Studies

Events

Institute of Food Technologists Conference Event Materials Science
  • Jul 14th-17th, 2024
Institute of Food Technologists Conference

Schrödinger is excited to be participating in the Institute of Food Technologists Conference taking place on July 14th – 17th in Chicago, Illinois.

 Japan Drug Discovery Summit 2024 Event Life Science
  • Jul 18, 2024
 Japan Drug Discovery Summit 2024

サミットでは、新規テクノロジーの開発状況を始め、実際の創薬プロジェクトでの活用事例を、国内外のユーザー様からのご発表を含めてご紹介します。

GRC Computational Materials Science and Engineering Event Materials Science
  • Jul 21st-26th, 2024
GRC Computational Materials Science and Engineering

Schrödinger is excited to be participating in the GRC Computational Materials Science and Engineering conference taking place on July 21st – 26th in Newry, Maine.

Publications

  • Publication
  • Dec 17, 2023
Understanding the binding interaction mechanism of i-motif with fluorophores: A biophysical approach
Ibrahim, et al. Chemical Physics Impact, 2023, 7, 100370
  • Publication
  • Oct 9, 2023
Understanding the Effect of the Oil-to-Surfactant Ratio on Eugenol Oil-in-Water Nanoemulsions Using Experimental and Molecular Dynamics Investigations
Debraj, et al. Industrial & Engineering Chemistry Research, 2023, 62(41), 16766–16776

Webinars

Organic Electronics Webinar Materials Science
  • Aug 7, 2024
Leveraging atomistic simulation, machine learning, and cloud-based collaborative ideation for display materials discovery

This webinar will explore the union of physics-based simulations, machine learning (ML), and cloud-native collaboration and informatics tools in revolutionizing R&D innovation for display materials.

Electrodes, electrolytes & interfaces: Harnessing molecular simulation and machine learning for rapid advancements in battery materials development Webinar Materials Science
  • Jun 26, 2024
Electrodes, electrolytes & interfaces: Harnessing molecular simulation and machine learning for rapid advancements in battery materials development

Schrödinger is excited to be presenting in a webinar hosted by the Battery Technology Platform, taking place on June 26th.

Schrödinger Materials Science Seminar Japan 2024  Webinar Materials Science
  • Jun 4, 2024
Schrödinger Materials Science Seminar Japan 2024 

《無料Webセミナー》材料開発向けシミュレーション・ソフトウェアおよびマテリアルズ・インフォマティクスの活用事例を紹介。

White Papers

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.

Jaguar Datasheet White Paper Materials Science
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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.