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Coarse-Grained Density Functional Theory Predictions via De..:

Ganesh Sivaraman (7531928) ; Nicholas E. Jackson (1348692)
https://figshare.com/articles/journal_contribution/Coarse-Grained_Density_Functional_Theory_Predictions_via_Deep_Kernel_Learning/18311230. , 2022

Link: https://doi.org/10.1021/acs.jctc.1c01001.s001

RT Journal
T1 <Title>Coarse-Grained Density Functional Theory Predictions via Deep Kernel Learning</Title>

UL https://suche.suub.uni-bremen.de/peid=base-ftsmithonian:oai:figshare.com:article_18311230&Exemplar=1&LAN=DE
				
A1 Ganesh Sivaraman (7531928)
A1 Nicholas E. Jackson (1348692)
YR 2022
K1 Biophysics
K1 Medicine
K1 Sociology
K1 Computational Biology
K1 Space Science
K1 Mathematical Sciences not elsewhere classified
K1 Chemical Sciences not elsewhere classified
K1 Physical Sciences not elsewhere classified
K1 Information Systems not elsewhere classified
K1 soft materials design
K1 learn complex representations
K1 random gaussian processes
K1 dft )
K1 obtaining
K1 atom quantum chemical
K1 predicted electronic properties
K1 develop ecg within
K1 7 </ sup
K1 separated dft
K1 random sampling
K1 electronic energies
K1 uncertainty estimations
K1 uncertainties provided
K1 speedup relative
K1 significant overlap
K1 prove challenging
K1 feature space
K1 examined system
K1 based methods
K1 atom qc
JF https://figshare.com/articles/journal_contribution/Coarse-Grained_Density_Functional_Theory_Predictions_via_Deep_Kernel_Learning/18311230
LK http://dx.doi.org/https://doi.org/10.1021/acs.jctc.1c01001.s001
DO https://doi.org/10.1021/acs.jctc.1c01001.s001
SF ELIB - SuUB Bremen

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