Hierarchical crystal structure prediction of zeolitic imidazolate frameworks using DFT and machine-learned interatomic potentials.

Xu Y, Dorrell J, Lisac K, Brekalo I, Darby JP, Morris AJ, Arhangelskis M

DOI: 10.1039/d6sc04307k
Published: 2026 Sep 4
Container: Chemical science
Publisher: Not recorded
Open access: yes

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Cite this work

BibTeX

@article{allodium:10.1039/d6sc04307k,
  title = {Hierarchical crystal structure prediction of zeolitic imidazolate frameworks using DFT and machine-learned interatomic potentials.},
  author = {Xu Y and Dorrell J and Lisac K and Brekalo I and Darby JP and Morris AJ and Arhangelskis M},
  year = {2026},
  journal = {Chemical science},
  doi = {10.1039/d6sc04307k},
  url = {https://doi.org/10.1039/d6sc04307k}
}

RIS

TY  - JOUR
TI  - Hierarchical crystal structure prediction of zeolitic imidazolate frameworks using DFT and machine-learned interatomic potentials.
AU  - Xu Y
AU  - Dorrell J
AU  - Lisac K
AU  - Brekalo I
AU  - Darby JP
AU  - Morris AJ
AU  - Arhangelskis M
PY  - 2026
JO  - Chemical science
DO  - 10.1039/d6sc04307k
UR  - https://doi.org/10.1039/d6sc04307k
ER  -

APA

Y, X., J, D., K, L., I, B., JP, D., AJ, M., & M, A. (2026). Hierarchical crystal structure prediction of zeolitic imidazolate frameworks using DFT and machine-learned interatomic potentials.. Chemical science. https://doi.org/10.1039/d6sc04307k

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pubmed · retrieved 2026-09-25T01:23:06.082Z