Journal Articles by D. Willimetz
H. Windeck,
D. Willimetz,
A. Erlebach,
C. J. Heard,
L. Grajciar,
F. Berger and
J. Sauer
Water Adsorption at Pairs of Proximate Brønsted Acid Sites in Zeolites
Water Adsorption at Pairs of Proximate Brønsted Acid Sites in Zeolites
The Journal of Physical Chemistry Letters,
17(4),
2026
D. Willimetz,
J. Martínez-Ortigosa,
D. Brako-Amoafo,
L. Grajciar,
J. A. Vidal-Moya,
C. Bornes,
V. Sarou-Kanian,
F. Rey
et al.
Aluminium siting in zeolite RTH from a combined machine learning – NMR approach
Aluminium siting in zeolite RTH from a combined machine learning – NMR approach
Journal of Materials Chemistry A,
14(18),
2026
D. Willimetz and
L. Grajciar
A Simple and Scalable Kernel Density Approach for Reliable Uncertainty Quantification in Atomistic Machine Learning
A Simple and Scalable Kernel Density Approach for Reliable Uncertainty Quantification in Atomistic Machine Learning
The Journal of Physical Chemistry Letters,
16(42),
2025
D. Willimetz,
A. Erlebach,
C. J. Heard and
L. Grajciar
27Al NMR chemical shifts in zeolite MFI via machine learning acceleration of structure sampling and shift prediction
27Al NMR chemical shifts in zeolite MFI via machine learning acceleration of structure sampling and shift prediction
Digital Discovery,
4(1),
2025