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Paper Abstract and Keywords
Presentation 2016-11-17 14:00
[Poster Presentation] Estimating Proton Conductivity in Crystals by using Guassian Process and Dynamic Programming
Kenta Kanamori (NITech), Kazuaki Toyoura (Kyoto Univ.), Shinichi Nakajima (TU Berlin), Atsuto Seko (Kyoto Univ.), Masayuki Karasuyama (NITech), Akihide Kuwabara (JFCC), Junya Honda (Tokyo Univ.), Kazuki Shitara (JFCC), Motoki Shiga (Gifu Univ.), Ichiro Takeuchi (NITech) IBISML2016-73
Abstract (in Japanese) (See Japanese page) 
(in English) In material science, $proton conductivity$ is very important property for designing new battery and it is defined as maximum $potential energy$ in the proton moving path over $potential energy surface$ (PES).

Many material scientists usually calculate proton conductivity by using simulation on PES.
However, to know the whole exact PES is very time consuming.
In this paper, we propose a method for proton coducitivity estimation which combines the probabilistic modeling of PES by Gaussian process with dynamic programming.
We also propose a selective sampling for improving estimation accuracy.
Our experimental result with three type of proton conductor shows the proposed approach brings significant reduction of computational cost.
Keyword (in Japanese) (See Japanese page) 
(in English) Proton Conductivity / Gaussian Process / Dynamic Programming / Bottle-neck Search / / / /  
Reference Info. IEICE Tech. Rep., vol. 116, no. 300, IBISML2016-73, pp. 191-198, Nov. 2016.
Paper # IBISML2016-73 
Date of Issue 2016-11-09 (IBISML) 
ISSN Print edition: ISSN 0913-5685    Online edition: ISSN 2432-6380
Copyright
and
reproduction		 All rights are reserved and no part of this publication may be reproduced or transmitted in any form or by any means, electronic or mechanical, including photocopy, recording, or any information storage and retrieval system, without permission in writing from the publisher. Notwithstanding, instructors are permitted to photocopy isolated articles for noncommercial classroom use without fee. (License No.: 10GA0019/12GB0052/13GB0056/17GB0034/18GB0034)
Download PDF IBISML2016-73

Conference Information
Committee IBISML  
Conference Date 2016-11-16 - 2016-11-18 
Place (in Japanese) (See Japanese page) 
Place (in English) Kyoto Univ. 
Topics (in Japanese) (See Japanese page) 
Topics (in English) Information-Based Induction Science Workshop (IBIS2016) 
Paper Information
Registration To IBISML 
Conference Code 2016-11-IBISML 
Language Japanese 
Title (in Japanese) (See Japanese page) 
Sub Title (in Japanese) (See Japanese page) 
Title (in English) Estimating Proton Conductivity in Crystals by using Guassian Process and Dynamic Programming 
Sub Title (in English)  
Keyword(1) Proton Conductivity  
Keyword(2) Gaussian Process  
Keyword(3) Dynamic Programming  
Keyword(4) Bottle-neck Search  
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1st Author's Name Kenta Kanamori  
1st Author's Affiliation Nagoya Institute of Technology (NITech)
2nd Author's Name Kazuaki Toyoura  
2nd Author's Affiliation Kyoto University (Kyoto Univ.)
3rd Author's Name Shinichi Nakajima  
3rd Author's Affiliation Technische Universit{"a}t Berlin (TU Berlin)
4th Author's Name Atsuto Seko  
4th Author's Affiliation Kyoto University (Kyoto Univ.)
5th Author's Name Masayuki Karasuyama  
5th Author's Affiliation Nagoya Institute of Technology (NITech)
6th Author's Name Akihide Kuwabara  
6th Author's Affiliation Japan Fine Ceramics Center (JFCC)
7th Author's Name Junya Honda  
7th Author's Affiliation Tokyo University (Tokyo Univ.)
8th Author's Name Kazuki Shitara  
8th Author's Affiliation Japan Fine Ceramics Center (JFCC)
9th Author's Name Motoki Shiga  
9th Author's Affiliation Gifu University (Gifu Univ.)
10th Author's Name Ichiro Takeuchi  
10th Author's Affiliation Nagoya Institute of Technology (NITech)
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Speaker Author-1 
Date Time 2016-11-17 14:00:00 
Presentation Time 180 minutes 
Registration for IBISML 
Paper # IBISML2016-73 
Volume (vol) vol.116 
Number (no) no.300 
Page pp.191-198 
#Pages 8 
Date of Issue 2016-11-09 (IBISML) 

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