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Nudged elastic band calculations accelerated with Gaussian process regression based on inverse interatomic distances

Year of publication

2019

Authors

Koistinen, Olli-Pekka; Ásgeirsson, Vilhjálmur; Vehtari, Aki; Jonsson, Hannes

Organizations and authors

Aalto University

Vehtari Aki

Jonsson Hannes

Koistinen Olli-Pekka

Publication type

Publication format

Article

Parent publication type

Journal

Article type

Original article

Audience

Scientific

Peer-reviewed

Peer-Reviewed

MINEDU's publication type classification code

A1 Journal article (refereed), original research

Publication channel information

Journal/Series

Journal of Chemical Theory and Computation

Publisher

AMERICAN CHEMICAL SOCIETY

Volume

15

Issue

12

Pages

6738-6751

ISSN

Publication forum

Publication forum level

2

Open access

Open access in the publisher’s service

No

Self-archived

Yes

Other information

Fields of science

Computer and information sciences

Internationality of the publisher

International

Language

English

International co-publication

Yes

Co-publication with a company

No

DOI

10.1021/acs.jctc.9b00692

The publication is included in the Ministry of Education and Culture’s Publication data collection

Yes