Webinar
Materials Science
- Jun 28, 2023
Cutting-Edge Cosmetics: Innovating for Sustainability with Machine Learning & Molecular Simulations
In this webinar, we’ll explore the challenges chemists face, and how new approaches can help find solutions quicker.
Webinar
Materials Science
- Jun 23, 2023
Progress in understanding atomic level processing at the atomic scale
In this talk, we will dip into stories about how simulations have advanced our understanding of the growth mechanisms of ALD, and lately of ALE too.
Webinar
Materials Science
- Apr 18, 2023
Accelerating the Design of Asymmetric Catalysts with a Digital Chemistry Platform
In this webinar, we will demonstrate how Schrödinger’s advanced digital chemistry platform can be used to accelerate the direct design and discovery of asymmetric catalysts.
Webinar
Materials Science
- Mar 29, 2023
Battery Tech – Leveraging Atomic Scale Modeling for Design and Discovery of Next-Generation Battery Materials
Attend this webinar to learn about an advanced digital chemistry platform for developing next-generation battery materials with improved properties.
Webinar
Materials Science
- Mar 10, 2023
Chinese: 利用原子尺度建模设计和发现下一代电池材料 | Leveraging Atomic Scale Modeling for Design and Discovery of Next-Generation Battery Materials
This webinar discussed how to drive the development of novel battery materials with molecular simulations.
Webinar
Materials Science
- Feb 27, 2023
Vibrational and electronic circular dichroism calculations with Jaguar
Circular dichroism spectroscopy has the ability to distinguish chiral molecules, and, in conjunction with theoretical calculation, can assign absolute configurations to the experimentally measured samples.
Webinar
Materials Science
- Dec 19, 2022
Overview of Molecular Modelling for Formulations
This talk is an overview of molecular modeling calculations relevant for formulations in the pharmaceuticals, inks, 3D printing, polymers, batteries and agricultural chemicals industries.
Webinar
Materials Science
- Oct 21, 2022
Sublime Precursors: How Modelling Organometallics at Surfaces Drives Innovation in Materials Processing
In this talk, we look at simulations of organometallic complexes as precursor molecules for the deposition or etching of materials.
Webinar
Materials Science
- Sep 22, 2022
Leveraging Atomic Scale Modeling for Design and Discovery of Next-Generation Battery Materials
In this webinar, we will demonstrate how Schrödinger’s advanced digital chemistry platform can be leveraged to accelerate the design and discovery of next-generation battery materials with improved properties.
Webinar
Materials Science
- Sep 15, 2022
Chinese: Driving the development of bio-based polymer materials with molecular simulations | 分子模拟技术推进生物基聚合物材料的发展
生物基聚合物（由可再生资源制成的聚合物材料）的应用正在为各个行业，从消费品包装到碳纤维复合材料，带来整体效益。
Webinar
Materials Science
- Aug 30, 2022
Exploring the formulations of personal care products using a digital chemistry strategy
The demand for new and innovative personal care products is increasing due to changes in consumer trends and sustainability goals for CPG companies.
Webinar
Materials Science
- Jun 22, 2022
A paradigm change in the design and optimization of OLED materials using a digital chemistry strategy
In this webinar, we will present the impact of in silico technologies for systematic design, development, and selection of organic optoelectronic materials.
Case Studies
Case Study
Materials Science
Case Study
Materials Science
Case Study
Materials Science
Events
Webinar
Life Science
Materials Science
- Sep 11th – Nov 6th, 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.
Event
Life Science
- Nov 4th-6th, 2024
BIO Europe
Schrödinger is excited to be participating in the BIO Europe conference taking place on November 4th – 6th in Stockholm, Sweden. Stop by our booth 28 to speak with Schrödinger scientists.
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
- Publication
- May 3, 2024
Unveiling a Novel Solvatomorphism of Anti-inflammatory Flufenamic Acid: X-ray Structure, Quantum Chemical, and In Silico Studies
Shanthakumar, et al. ACS Omega, 2024, 9(19), 20753-20772- Publication
- Jul 15, 2024
Synthesis, computational studies and evaluation of benzisoxazole tethered 1,2,4-triazoles as anticancer and antimicrobial agents
Dwarakanath, et al. Journal of Molecular Structure, 2024, 1308, 138070- Publication
- Aug 1, 2024
Conformers influence on UV-absorbance of avobenzone
Sahoo, et al. Journal of Photochemistry and Photobiology A: Chemistry, 2024, 453, 115671Webinars
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
- Sep 11th – Nov 6th, 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
- Oct 23, 2024
Crystal structure prediction workflow for small molecule drug formulation
Early assessment of crystal polymorphism and thermodynamic solubility continues to be elusive for drug discovery and development despite its critical importance, especially for the ever-increasing fraction of poorly soluble drug candidates.
White Papers
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.
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.
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