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Items: 3

1.

SimNano: A Trust Region Strategy for Large-Scale Molecular Systems Energy Minimization Based on Exact Second-Order Derivative Information.

Chatzieleftheriou S, Anogiannakis S, Theodorou DN, Lagaros ND.

J Chem Inf Model. 2019 Jan 28;59(1):190-205. doi: 10.1021/acs.jcim.8b00604. Epub 2018 Nov 29.

PMID:
30433778
2.

Topology optimization aided structural design: Interpretation, computational aspects and 3D printing.

Kazakis G, Kanellopoulos I, Sotiropoulos S, Lagaros ND.

Heliyon. 2017 Oct 31;3(10):e00431. doi: 10.1016/j.heliyon.2017.e00431. eCollection 2017 Oct.

3.

Generalized Potential Energy Finite Elements for Modeling Molecular Nanostructures.

Chatzieleftheriou S, Adendorff MR, Lagaros ND.

J Chem Inf Model. 2016 Oct 24;56(10):1963-1978. doi: 10.1021/acs.jcim.6b00356. Epub 2016 Oct 5.

PMID:
27653992

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