C. Lei, A. Erlebach, F. Brivio, L. Grajciar, Z. Tošner, C. J. Heard, and P. Nachtigall. The need for operando modelling of 27Al NMR in zeolites: the effect of temperature{,} topology and water. Chem. Sci., The Royal Society of Chemistry, volume 14, 2023.

C. Lei, A. Erlebach, F. Brivio, L. Grajciar, Z. Tosner, C. J. Heard, and P. Nachtigall. The need for operando modelling of 27Al NMR in zeolites: the effect of temperature{,} topology and water. Chem. Sci., The Royal Society of Chemistry, volume 14, 2023.

M. Sipka, A. Erlebach, and L. Grajciar. Constructing Collective Variables Using Invariant Learned Representations. Journal of Chemical Theory and Computation, volume 19, issue 3, 2023.

A. Erlebach, P. Nachtigall, and L. Grajciar. Accurate large-scale simulations of siliceous zeolites by neural network potentials. npj Computational Materials, volume 8, issue 1, August 2022.