AI Platform for Materials Informatics [Simplified Version]

Schrödinger, Inc. will be presenting and exhibiting at the 85th Autumn Meeting of the Japan Society of Applied Physics from September 16 (Monday) to September 20 (Friday). 【Presentation】 Date and Time: September 18 (Wednesday) 13:30 - 13:45 Title: "Exploration of New Titanium Nitride Structures Using Local Formal Charge" Presenter: Yuta Aoki, Schrödinger, Inc. Location: Niigata City, Toki Messe 2F A24 Keywords: oxynitride, semiconductor, photocatalyst We proposed a new titanium nitride with an optimal band structure for visible light-responsive photocatalysts for water splitting. To screen stable structures from a large number of candidate structures, we proposed a method to calculate the local formal charge of Ti atoms from local structures, which was used to narrow down the subjects for first-principles calculations. The resulting structure was found to have its valence band edge raised by over 1 eV compared to TiO2, indicating a band structure suitable for visible light water splitting. 【Booth】K-13

Schrödinger, Inc. will hold a materials science web seminar titled 'Schrodinger Materials Science Seminar Japan 2024' from June 4 (Tuesday) to June 7 (Friday). In recent years, computational chemistry has established itself as an essential foundational technology in the development of various materials, ranging from semiconductors and electronic components to everyday products. Since its founding in 1990, Schrödinger has continuously worked on enhancing software and informatics for molecular design, providing practical solutions for the efficiency of various material developments. We will be hosting a seminar to introduce case studies utilizing these software tools. The content will be satisfying for both those with experience in simulations and machine learning, as well as those who are just starting out. We welcome participation in any sessions of interest, so please feel free to join us.

Schrödinger, Inc. will hold a materials science web seminar titled 'Schrödinger Materials Science Seminar Japan 2023' from September 7 (Thursday) to September 15 (Friday). In recent years, computational chemistry has established itself as an essential foundational technology in various materials development, ranging from semiconductors and electronic components to everyday products. Since its founding in 1990, Schrödinger has continuously worked on enhancing software and informatics for molecular design, providing practical solutions for the efficiency of various materials development. We will be hosting a seminar to introduce case studies of these software applications. The content will be satisfying not only for those with experience in simulations and machine learning but also for those who are just starting out. You are very welcome to attend only the sessions that interest you, so please feel free to join us.

Schrödinger, Inc. will hold a materials science web seminar titled "Schrodinger Materials Science Seminar Japan Summer 2022" from July 26 (Tuesday) to July 29 (Friday). Our company develops, sells, and provides services for software aimed at materials science, including: - The "Materials Science Suite," a simulation software platform that enables advanced analysis and property predictions at the atomic scale, - The "LiveDesign" platform for materials informatics. In the seminar, we will clearly introduce what can specifically be done using these software tools. The content will be of interest not only to those with experience in simulation and machine learning but also to those who are just starting out. We encourage you to participate freely.