PFCC to Present at the 72nd Japan Society of Applied Physics  Spring Meeting

PFCC will be presenting and exhibiting at  the 72nd Japan Society of Applied Physics  Spring Meeting , to be held in Chiba from Friday, March 14, 2025.

Exhibition and booth information

Date: Friday, March 14th – Monday, March 17th, 2025
Venue: Tokyo University of Science Noda Campus & Online
Booth: E-86

Presentation information

Speaker 1: Hirotaka Yonezawa

Presentation Date and time: Saturday, March 15th  13:30 ~ 15:30
Presentation venue: Poster presentation Venue P
Title: NMR chemical shift prediction using features of MLIPs
Abstract:
NMR is an essential measuring device for determining the structure of organic molecules, and research into predicting chemical shifts has been ongoing. Existing data-driven methods have a problem with the lack of local representation around the target H atom, especially in predicting 1H. To address this issue, we thought that using the universal machine learning potential PreferredPotential (PFP) as a feature extractor would enable a precise representation of the environment around the atom. We present the results of our study into constructing a predictive model from features extracted using PFP.

Presenter 2: Kota Matsumoto

Presentation Date and time: Sunday, March 16th, 13:30 ~ 14:00
Presentation venue: Oral presentation, Hall K202
Title: Analysis of surface reactions in semiconductor manufacturing processes using general-purpose neural network potentials
Abstract:
In recent years, with the miniaturization of semiconductor manufacturing technology, the importance of understanding reactions at the atomic level in the manufacturing process is increasing. In this presentation, we will focus on semiconductor manufacturing processes such as ALD (Atomic Layer Deposition) process, ALE (Atomic Layer Etching) and wet etching, and introduce reaction analysis examples using the general-purpose atomic level simulator Matlantis.

Presenter

Speaker 1: Hirotaka Yonezawa

After obtaining his PhD in Science from the University of Tokyo in 2018, he worked at a consulting firm improving business efficiency through data science. He joined PFCC in 2024. He aims to create a world where even experimental chemists can improve the efficiency of their research through calculations. His specialties are organic synthesis, supramolecules, and photochemistry.

Presenter 2: Kota Matsumoto

After graduating from the Graduate School of Comprehensive Chemistry at Hokkaido University, he joined ENEOS Corporation and was involved in research into material development using computational chemistry, Matlantis verification development, and GRRM20 with Matlantis interface development. He then joined PFCC and is currently working as a customer success engineer developing applications using Matlantis.