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A Machine-Learning-Based Approach for Solving Atomic Struct..:

Kløve, Magnus ; Sommer, Sanna ; Iversen, Bo B..
Kløve , M , Sommer , S , Iversen , B B , Hammer , B & Dononelli , W 2023 , ' A Machine-Learning-Based Approach for Solving Atomic Structures of Nanomaterials Combining Pair Distribution Functions with Density Functional Theory ' , Advanced Materials , vol. 35 , no. 13 , 2208220 . https://doi.org/10.1002/adma.202208220. , 2023

Link: https://pure.au.dk/portal/da/publications/amachinelear..

RT Journal
T1 <Title>A Machine-Learning-Based Approach for Solving Atomic Structures of Nanomaterials Combining Pair Distribution Functions with Density Functional Theory</Title>

UL https://suche.suub.uni-bremen.de/peid=base-ftuniaarhuspubl:oai:pure.atira.dk:publications_3f2a983c-d862-4232-acd9-009e291f1f29&Exemplar=1&LAN=DE
				
A1 Kløve, Magnus
A1 Sommer, Sanna
A1 Iversen, Bo B
A1 Hammer, Bjørk
A1 Dononelli, Wilke
YR 2023
K1 crystal structure prediction
K1 density functional theory
K1 global optimization
K1 machine learning
K1 nanomaterials
K1 pair distribution function
JF Kløve , M , Sommer , S , Iversen , B B , Hammer , B & Dononelli , W 2023 , ' A Machine-Learning-Based Approach for Solving Atomic Structures of Nanomaterials Combining Pair Distribution Functions with Density Functional Theory ' , Advanced Materials , vol. 35 , no. 13 , 2208220 . https://doi.org/10.1002/adma.202208220
LK http://dx.doi.org/https://pure.au.dk/portal/da/publications/amachinelearningbased-approach-for-solving-atomic-structures-of-nanomaterials-combining-pair-distribution-functions-with-density-functional-theory(3f2a983c-d862-4232-acd9-009e291f1f29).html
DO https://pure.au.dk/portal/da/publications/amachinelearningbased-approach-for-solving-atomic-structures-of-nanomaterials-combining-pair-distribution-functions-with-density-functional-theory(3f2a983c-d862-4232-acd9-009e291f1f29).html
SF ELIB - SuUB Bremen

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