39.2: Invited Paper: First, Faster, Further: Competitive Advantage with Next‐Generation Materials Development

Author:

Winget Paul1,Kwak H. Shaun1,Dub Pavel1,Abroshan Hadi1,Giesen Dave1,Li Jun1,Cao Yixiang1,Mustard Thomas J.1,Duan Jianxin1,Brown Christopher T.1,Halls Mathew D.1

Affiliation:

1. Schrödinger Inc., New York, NY 10036, United States EMNI Co. Ltd., 14, Seocheon-ro 201 beon-gil Yongin Republic of Korea 1711

Abstract

We have entered a paradigm-changing era in the way chemists innovate. Many fields, such as automotive engineering and particle physics, rely today on accurate simulation before experimentation. In recent years, chemistry has entered a new phase of chemical solution design powered by a rich set of physics-based and augmented intelligence capabilities. This talk will present select case studies illustrating some of our latest physics-based simulation technology for developing and optimizing OLED materials. We will also introduce an enterprise informatics platform (LiveDesignTM) focused on chemical discovery, enabling multidisciplinary teams to amplify their development cycle with collaboration on a global scale.

Publisher

Wiley

Subject

General Medicine

Reference13 articles.

1. Organic radical emitters: nature of doublet excitons in emissive layers

2. Halls MD Design of organic electronic materials with a goal-directed generative model powered by deep neural networks and high-throughput molecular simulations;Kwak HS;Frontiers in Chemistry,2022

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