ChemShell featured on PCCP cover

Aug 23, 2023

A front cover from the journal Phys Chem Chem Phys highlighting our recent ChemShell perspective article.

Our recent Perspective article on QM/MM modelling of catalytic systems using ChemShell has been featured on the front cover of the 7th September issue of the Royal Society of Chemistry’s journal PCCP!



Y. Lu, K. Sen, C. Yong, D. S. D. Gunn, J. A. Purton, J. Guan, A. Desmoutier, J. Abdul Nasir, X. Zhang, L. Zhu, Q. Hou, J. Jackson-Masters, S. Watts, R. Hanson, H. N. Thomas, O. Jayawardena, A. J. Logsdail, S. M. Woodley, H. M. Senn, P. Sherwood, C. R. A. Catlow, A. A. Sokol and T. W. Keal, “Multiscale QM/MM modelling of catalytic systems with ChemShell”, Phys. Chem. Chem. Phys., 2023, 25, 21816-21835. DOI: 10.1039/D3CP00648D