Deep dive into machine learning density functional theory for materials science and chemistry
Author:
Funder
Bundesministerium für Bildung und Forschung
Publisher
American Physical Society (APS)
Subject
Physics and Astronomy (miscellaneous),General Materials Science
Link
http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevMaterials.6.040301/fulltext
Reference513 articles.
1. Correlated electron-nuclear dynamics: Exact factorization of the molecular wavefunction
2. Zur Quantentheorie der Molekeln
3. Crystal structure and DFT calculations of andrographiside
4. Influence of surface charge density on ligand-metal bonding: A DFT study of NH3 and HCOOH on Mg (0 0 0 1) surface
5. Ab Initio Investigation of Structure and Cohesive Energy of Crystalline Urea
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