Journal Articles by A. Erlebach
C. Lei
A. Erlebach
F. Brivio
L. Grajciar
Z. Tošner
C. J. Heard
P. Nachtigall
The need for operando modelling of 27Al NMR in zeolites: the effect of temperature, topology and water
The need for operando modelling of 27Al NMR in zeolites: the effect of temperature, topology and water
Chem. Sci.,
14,
2023
C. Lei
A. Erlebach
F. Brivio
L. Grajciar
Z. Tosner
C. J. Heard
P. Nachtigall
The need for operando modelling of 27Al NMR in zeolites: the effect of temperature, topology and water
The need for operando modelling of 27Al NMR in zeolites: the effect of temperature, topology and water
Chem. Sci.,
14,
2023
M. Sipka
A. Erlebach
L. Grajciar
Constructing Collective Variables Using Invariant Learned Representations
Constructing Collective Variables Using Invariant Learned Representations
Journal of Chemical Theory and Computation (PMID: 36696574),
19(3),
2023
A. Erlebach
P. Nachtigall
L. Grajciar
Accurate large-scale simulations of siliceous zeolites by neural network potentials
Accurate large-scale simulations of siliceous zeolites by neural network potentials
npj Computational Materials,
8(1),
2022