Abstract Structure determination of amorphous materials remains challenging, owing to the
disorder inherent to these materials. Nuclear magnetic resonance (NMR) powder …

Li-ion batteries have become essential in energy storage, with demand rising steadily.
Cathodes, crucial for determining capacity and voltage, face challenges like degradation in …

Ni-rich LiNi a Mn b Co c O2 (NMC) cathodes undergo a series of degradation reactions, a
prominent one being oxygen loss from the surface of the NMC particles; this process is more …

Al-rich 60Al2O3–40SiO2 glass is a candidate for technological applications in electronic and
optical devices. Though the amorphous structure of the glass has been studied using solid …

We present a comprehensive study on the best practices for integrating first principles
simulations in experimental quadrupolar solid-state nuclear magnetic resonance (SS-NMR) …

In pursuit of accessible and interpretable methods for direct and real-time observation of
mechanochemical reactions, we demonstrate a tandem spectroscopic method for monitoring …

Profound knowledge of the molecular structure and supramolecular organization of organic
molecules is essential to understand their structure–property relationships. Herein we …

Solid-state NMR has established itself as a cutting-edge spectroscopy for elucidating the
structure of oxide glasses thanks to several decades of methodological and instrumental …

Amorphous solids form an enormous and underutilized class of materials. In order to drive
the discovery of new useful amorphous materials further we need to achieve a closer …

We present for the first time a multiscale machine learning approach to jointly simulate
atomic structure and dynamics with the corresponding solid state Nuclear Magnetic …