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  Materials for turning greenhouse gases into useful chemicals and fuels: a route identified by high-throughput calculations and artificial intelligence

Mazheika, A., Levchenko, S. V., Ghiringhelli, L. M., & Scheffler, M. (2021). Materials for turning greenhouse gases into useful chemicals and fuels: a route identified by high-throughput calculations and artificial intelligence. In High-Performance Computing and Data Science in the Max Planck Society (pp. 44-46). Garching: Max Planck Computing and Data Facility. Retrieved from https://www.mpcdf.mpg.de/MPCDF_Brochure_2021.

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 Creators:
Mazheika, Aliaksei1, Author
Levchenko, Sergey V.2, Author
Ghiringhelli, Luca M.3, Author           
Scheffler, Matthias3, Author           
Affiliations:
1UniCat BASF Joint Lab, Berlin, Germany, ou_persistent22              
2Skolkovo Institute of Science and Technology, Moscow, Russia, ou_persistent22              
3NOMAD, Fritz Haber Institute, Max Planck Society, ou_3253022              

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 Abstract: Heat transport plays a pivotal role in a multitude of scientific and industrial applications, e.g., energy conversion, catalysis, and combustion. However, surprisingly little is known about the trends governing thermal transport across material space and the underlying microscopic mechanisms. At the NOMAD Laboratory, novel first-principles methods are developed to shed light on these questions.

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Language(s): eng - English
 Dates: 20212021
 Publication Status: Issued
 Pages: 3
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Degree: -

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Title: High-Performance Computing and Data Science in the Max Planck Society
Source Genre: Book
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Publ. Info: Garching : Max Planck Computing and Data Facility
Pages: 3 Volume / Issue: - Sequence Number: - Start / End Page: 44 - 46 Identifier: -