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