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.