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@ARTICLE{Malek:872923,
author = {Malek, Ali and Eslamibidgoli, Mohammad Javad and Mokhtari,
Mehrdad and Wang, Qianpu and Eikerling, Michael H. and
Malek, Kourosh},
title = {{V}irtual {M}aterials {I}ntelligence for {D}esign and
{D}iscovery of {A}dvanced {E}lectrocatalysts},
journal = {ChemPhysChem},
volume = {20},
number = {22},
issn = {1439-7641},
address = {Weinheim},
publisher = {Wiley-VCH Verl.},
reportid = {FZJ-2020-00388},
pages = {2946 - 2955},
year = {2019},
abstract = {Similar to advancements gained from big data in genomics,
security, internet of things, and e‐commerce, the
materials workflow could be made more efficient and prolific
through advances in streamlining data sources, autonomous
materials synthesis, rapid characterization, big data
analytics, and self‐learning algorithms. In
electrochemical materials science, data sets are large,
unstructured/heterogeneous, and difficult to process and
analyze from a single data channel or platform.
Computer‐aided materials design together with advances in
data mining, machine learning, and predictive analytics are
expected to provide inexpensive and accelerated pathways
towards tailor‐made functionally optimized energy
materials. Fundamental research in the field of
electrochemical energy materials focuses primarily on
complex interfacial phenomena and kinetic electrocatalytic
processes. This perspective article critically assesses
AI‐driven modeling and computational approaches that are
currently applied to those objects. An application‐driven
materials intelligence platform is introduced, and its
functionalities are scrutinized considering the development
of electrocatalyst materials for CO2 conversion as a use
case.},
cin = {IEK-13},
ddc = {540},
cid = {I:(DE-Juel1)IEK-13-20190226},
pnm = {113 - Methods and Concepts for Material Development
(POF3-113)},
pid = {G:(DE-HGF)POF3-113},
typ = {PUB:(DE-HGF)16},
pubmed = {pmid:31587461},
UT = {WOS:000501279800005},
doi = {10.1002/cphc.201900570},
url = {https://juser.fz-juelich.de/record/872923},
}