A comparison of machine learning algorithms for transition state searches in computational chemistry

Klemens Schmuck, Ralf Meyer, Andreas Hauser

Research output: Chapter in Book/Report/Conference proceedingConference contributionResearchpeer-review

Original languageEnglish
Title of host publication68th Annual Meeting of the Austrian Physical Society
Place of PublicationGraz
PublisherVerlag der Technischen Universität Graz
Pages101
ISBN (Print) 978-3-85125-630-7
Publication statusPublished - Sep 2018
Event68th Annual Meeting of the Austrian Physical Society - Technische Universität Graz, Graz, Austria
Duration: 11 Sep 201814 Sep 2018
Conference number: 68
https://www.tugraz.at/events/oepg2018/home/

Conference

Conference68th Annual Meeting of the Austrian Physical Society
Abbreviated titleÖPG
CountryAustria
CityGraz
Period11/09/1814/09/18
Internet address

Fields of Expertise

  • Advanced Materials Science

Cite this

Schmuck, K., Meyer, R., & Hauser, A. (2018). A comparison of machine learning algorithms for transition state searches in computational chemistry. In 68th Annual Meeting of the Austrian Physical Society (pp. 101). Graz: Verlag der Technischen Universität Graz.

A comparison of machine learning algorithms for transition state searches in computational chemistry. / Schmuck, Klemens; Meyer, Ralf; Hauser, Andreas.

68th Annual Meeting of the Austrian Physical Society. Graz : Verlag der Technischen Universität Graz, 2018. p. 101.

Research output: Chapter in Book/Report/Conference proceedingConference contributionResearchpeer-review

Schmuck, K, Meyer, R & Hauser, A 2018, A comparison of machine learning algorithms for transition state searches in computational chemistry. in 68th Annual Meeting of the Austrian Physical Society. Verlag der Technischen Universität Graz, Graz, pp. 101, 68th Annual Meeting of the Austrian Physical Society, Graz, Austria, 11/09/18.
Schmuck K, Meyer R, Hauser A. A comparison of machine learning algorithms for transition state searches in computational chemistry. In 68th Annual Meeting of the Austrian Physical Society. Graz: Verlag der Technischen Universität Graz. 2018. p. 101
Schmuck, Klemens ; Meyer, Ralf ; Hauser, Andreas. / A comparison of machine learning algorithms for transition state searches in computational chemistry. 68th Annual Meeting of the Austrian Physical Society. Graz : Verlag der Technischen Universität Graz, 2018. pp. 101
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