"SimNano: A Trust Region Strategy for Large-Scale Molecular Systems Energy ..."

Stavros Chatzieleftheriou et al. (2019)

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DOI: 10.1021/ACS.JCIM.8B00604

access: closed

type: Journal Article

metadata version: 2021-06-01

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Stavros Chatzieleftheriou, Stefanos Anogiannakis, Doros N. Theodorou, Nikos D. Lagaros:
SimNano: A Trust Region Strategy for Large-Scale Molecular Systems Energy Minimization Based on Exact Second-Order Derivative Information. J. Chem. Inf. Model. 59(1): 190-205 (2019)

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