atsushi-ishikawa Goto Github PK
Name: Atsushi Ishikawa
Type: User
Company: Tokyo Institute of Technology
Bio: Researcher for theoretical chemistry, quantum chemistry, etc.
Location: Tokyo, Japan
Name: Atsushi Ishikawa
Type: User
Company: Tokyo Institute of Technology
Bio: Researcher for theoretical chemistry, quantum chemistry, etc.
Location: Tokyo, Japan
script files for ab initio molecular dynamics
book draft
python scripts for using cp2k with machine-learning
Combined use of DFT, microkinetics, and GAN. The paper is https://www.nature.com/articles/s41598-022-15586-9
Tools to analyze the density of state (DOS) calculated with ab initio calculation.
Python script for PCCP 2020.
flask tets
Pt ORR promoted by adsorbing organic molecules
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Open source projects and samples from Microsoft.
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Data-Driven Documents codes.
China tencent open source team.