Research Research groups Member of: Computational Systems Chemistry Publications 4 publications Page 1 of 1 Porous isoreticular non-metal organic frameworks Megan O'Shaughnessy, Joseph Glover, Roohollah Hafizi, Mounib Barhi, Rob Clowes, Samantha Y. Chong, Stephen P. Argent, Graeme M. Day & Andrew I. Cooper, 2024, Nature, 630(8015), 102-108 DOI: 10.1038/s41586-024-07353-9 Type: article Computationally guided synthesis of a hierarchical [4[2 + 3] + 6] porous organic ‘cage of cages’ Qiang Zhu, Hang Qu, Gokay Avci, Roohollah Hafizi, Chengxi Zhao, Graeme M. Day, Kim E. Jelfs, Marc A. Little & Andrew I. Cooper, 2024, Nature Synthesis DOI: 10.1038/s44160-024-00531-7 Type: article Machine learned potentials by active learning from organic crystal structure prediction landscapes Patrick Walter Villers Butler, Roohollah Hafizi & Graeme M. Day, 2024, Journal of Physical Chemistry A, 128(5), 945–957 DOI: 10.1021/acs.jpca.3c07129 Type: article Multi-fidelity statistical machine learning for molecular crystal structure prediction Olga Egorova, Roohollah Hafizi, David Woods & Graeme M. Day, 2020, Journal of Physical Chemistry A, 124(39), 8065-8078 DOI: 10.1021/acs.jpca.0c05006 Type: article