Eiji Fujii
Panasonic
5 Papers
11 Citations
Eiji Fujii is an academic researcher from Panasonic. The author has contributed to research in topics: Electron mobility & Autoencoder. The author has an hindex of 3, co-authored 5 publications. Previous affiliations of Eiji Fujii include Osaka Prefecture University.
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Papers
Machine-Learning Guided Quantum Chemical and Molecular Dynamics Calculations to Design Novel Hole-Conducting Organic Materials
Erin Antono,Nobuyuki N. Matsuzawa,Julia Ling,James E. Saal,Hideyuki Arai,Masaru Sasago,Eiji Fujii +6 more
TL;DR: A molecule having a fused thioacene structure with its calculated hole mobility of 10-1.86 cm2/(Vs) was identified, higher than the maximum value of mobility in the initial training dataset, showing that an extrapolative discovery could be made with the sequential learning.
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De Novo Design of Molecules with Low Hole Reorganization Energy Based on a Quarter-Million Molecule DFT Screen.
Gabriel Marques,Karl Leswing,Tim Robertson,David J. Giesen,Mathew D. Halls,Alexander Goldberg,Kyle Marshall,Joshua Staker,Tsuguo Morisato,Hiroyuki Maeshima,Hideyuki Arai,Masaru Sasago,Eiji Fujii,Nobuyuki N. Matsuzawa +13 more
TL;DR: In this paper, three de novo design methods were applied to discover new molecules in the heteroacene family that might show improved hole mobility, using machine learning (ML) models based on previously calculated hole reorganization energies of a quarter million examples of hetero-acenes, where the energies were calculated by applying density functional theory (DFT) and a massive cloud computing environment.
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Estimation of electron and hole mobility of 50 homogeneous fullerene amorphous structures (C60, C58B2, C58N2 and C58NB) using a percolation corrected Marcus theory model
Alexander Goldberg,H. Shaun Kwak,Mathew D. Halls,Nobuyuki N. Matsuzawa,Masaru Sasago,Masaru Sasago,Hideyuki Arai,Eiji Fujii,Eiji Fujii +8 more
TL;DR: In this paper, the authors investigated 50 fullerenes, including 23 isomers of C58B2 and C58N2, and 3 selected isomers (C58BN) of C60.
11
Massive Theoretical Screen of Hole Conducting Organic Materials in the Heteroacene Family by Using a Cloud-Computing Environment.
Nobuyuki N. Matsuzawa,Hideyuki Arai,Masaru Sasago,Eiji Fujii,Alexander Goldberg,Thomas J. L. Mustard,H. Shaun Kwak,David J. Giesen,Fabio Ranalli,Mathew D. Halls +9 more
TL;DR: A massive theoretical screen of hole conducting properties of molecules was performed by using cloud computing environment to discover new molecules in the heteroacene family that might show improved charge mobility.