[19p-S423-1~17] 13.4 Si wafer processing /Si based thin film /MEMS/Integration technology

[19p-S423-17] Development of Ultra Accelerated Quantum Chemical Molecular Dynamics Method and Its Application to Semiconductor Process

〇Kenji Inaba¹, Emi Sato¹, Manami Sato¹, Yukiko Obara¹, Yukie Ishizawa¹, Masayuki Miyano¹, Ryuji Miura¹, Patrick Bonnaud¹, Ai Suzuki¹, Naoto Miyamoto¹, Nozomu Hatakeyama¹, Masanori Hariyama¹, Akira Miyamoto¹ (1.Tohoku Univ.)

Keywords:Quantum chemical molecular dynamics,First principle computation,Artificial Intelligence

We have developed Ultra Accelerated quantum chemical molecular dynamics method. This method uses parameters that can reproduce the DFT.However, the parameters fitting for the giant of the model and the complex has become difficult. Therefore, we considered a method to create parameters using artificial intelligence. We have studied this method as an example a silicon oxidation.