92 citations · 151 across the 4 of their papers we have counts for
4 papers
Predicting neutron experiments from first principles: A workflow powered by machine learning
Eric Lindgren, Adam J. Jackson, Erik Fransson +6
Machine learning has emerged as a powerful tool in materials discovery, enabling the rapid design of novel materials with tailored properties for countless applications, including…
Green reconstruction of MIL-100 (Fe) in water for high crystallinity and enhanced guest encapsulation
Barbara E. Souza, Annika F. Möslein, Kirill Titov +3
MIL-100 (Fe) is a highly porous metal-organic framework (MOF), considered as a promising carrier for drug delivery, and for gas separation and capture applications. However, this f…
Dynamics of hydrogen guests in ice XVII nanopores
Leonardo del Rosso, Milva Celli, Daniele Colognesi +4
The present high-resolution inelastic neutron scattering experiment on ice XVII, containing molecular hydrogen with different ortho/para ratio, allows to assign the H motion sp…
Detecting Molecular Rotational Dynamics Complementing the Low-Frequency Terahertz Vibrations in a Zirconium-Based Metal-Organic Framework
Matthew R. Ryder, Ben Van de Voorde, Bartolomeo Civalleri +7
We show clear experimental evidence of co-operative terahertz (THz) dynamics observed below 3 THz (~100 cm-1), for a low-symmetry Zr-based metal-organic framework (MOF) structure,…