Obálka

Machine learning and data-driven methods in computational surface and interface science

Uloženo v:
Vydáno v:NPJ Computational Materials vol. 11, no. 1 (2025), p. 196
Hlavní autor: Hörmann, Lukas
Další autoři: Stark, Wojciech G., Maurer, Reinhard J.
Vydáno:
Nature Publishing Group
Témata:
Machine learning
Simulation
Science
Genetic algorithms
Optimization
Molecular beam epitaxy
Computer applications
Electronic structure
Two dimensional materials
Interfaces
Learning algorithms
On-line přístup:Citation/Abstract
Full Text
Full Text - PDF
Tagy: Přidat tag
Žádné tagy, Buďte první, kdo vytvoří štítek k tomuto záznamu!

MARC

LEADER 00000nab a2200000uu 4500
001 3226269270
003 UK-CbPIL
022 |a 2057-3960 
024 7 |a 10.1038/s41524-025-01691-6  |2 doi 
035 |a 3226269270 
045 2 |b d20250101  |b d20251231 
084 |a 274866  |2 nlm 
100 1 |a Hörmann, Lukas  |u University of Warwick, Department of Chemistry, Coventry, UK (GRID:grid.7372.1) (ISNI:0000 0000 8809 1613); University of Warwick, Department of Physics, Coventry, UK (GRID:grid.7372.1) (ISNI:0000 0000 8809 1613) 
245 1 |a Machine learning and data-driven methods in computational surface and interface science 
260 |b Nature Publishing Group  |c 2025 
513 |a Journal Article 
520 3 |a Machine learning and data-driven methods have started to transform the study of surfaces and interfaces. Here, we review how data-driven methods and machine learning approaches complement simulation workflows and contribute towards tackling grand challenges in computational surface science from 2D materials to interface engineering and electrocatalysis. Challenges remain, including the scarcity of large datasets and the need for more electronic structure methods for interfaces. 
653 |a Machine learning 
653 |a Simulation 
653 |a Science 
653 |a Genetic algorithms 
653 |a Optimization 
653 |a Molecular beam epitaxy 
653 |a Computer applications 
653 |a Electronic structure 
653 |a Two dimensional materials 
653 |a Interfaces 
653 |a Learning algorithms 
700 1 |a Stark, Wojciech G.  |u University of Warwick, Department of Chemistry, Coventry, UK (GRID:grid.7372.1) (ISNI:0000 0000 8809 1613) 
700 1 |a Maurer, Reinhard J.  |u University of Warwick, Department of Chemistry, Coventry, UK (GRID:grid.7372.1) (ISNI:0000 0000 8809 1613); University of Warwick, Department of Physics, Coventry, UK (GRID:grid.7372.1) (ISNI:0000 0000 8809 1613) 
773 0 |t NPJ Computational Materials  |g vol. 11, no. 1 (2025), p. 196 
786 0 |d ProQuest  |t Health & Medical Collection 
856 4 1 |3 Citation/Abstract  |u https://www.proquest.com/docview/3226269270/abstract/embedded/IZYTEZ3DIR4FRXA2?source=fedsrch 
856 4 0 |3 Full Text  |u https://www.proquest.com/docview/3226269270/fulltext/embedded/IZYTEZ3DIR4FRXA2?source=fedsrch 
856 4 0 |3 Full Text - PDF  |u https://www.proquest.com/docview/3226269270/fulltextPDF/embedded/IZYTEZ3DIR4FRXA2?source=fedsrch