Integrated platform to support the development/analysis of semiconductor-related technologies.

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.