Optimization Algorithms in Optimal Predictions of Atomistic Properties by Kriging

Nicodemo Di Pasquale, Stuart J Davie, Paul LA Popelier

Research output: Contribution to journal › Article › peer-review

Original language	English
Pages (from-to)	1499−1513
Number of pages	15
Journal	Journal of Chemical Theory and Computation
Volume	12
Issue number	4
DOIs	https://doi.org/10.1021/acs.jctc.5b00936
Publication status	Published - 2016

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title = "Optimization Algorithms in Optimal Predictions of Atomistic Properties by Kriging",

author = "Pasquale, {Nicodemo Di} and Davie, {Stuart J} and Popelier, {Paul LA}",

year = "2016",

doi = "10.1021/acs.jctc.5b00936",

language = "English",

volume = "12",

pages = "1499−1513",

journal = "Journal of Chemical Theory and Computation",

issn = "1549-9626",

publisher = "American Chemical Society",

number = "4",

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TY - JOUR

T1 - Optimization Algorithms in Optimal Predictions of Atomistic Properties by Kriging

AU - Pasquale, Nicodemo Di

AU - Davie, Stuart J

AU - Popelier, Paul LA

PY - 2016

Y1 - 2016

U2 - 10.1021/acs.jctc.5b00936

DO - 10.1021/acs.jctc.5b00936

M3 - Article

SN - 1549-9626

VL - 12

SP - 1499−1513

JO - Journal of Chemical Theory and Computation

JF - Journal of Chemical Theory and Computation

IS - 4

ER -