activity
19992026
most citedDetecting Molecular Rotational Dynamics Complementing the Low-Frequency Terahertz Vibrations in a Zirconium-Based Metal-Organic Framework

92 citations · 198 across the 12 of their papers we have counts for

collaborators

12 papers

cond-mat.mtrl-sci2026

Crystallization of pristine cubic ice from liquid at ambient pressure

Chenwei Zheng, Paul F. Henry, Aasim I. Shaffi +11

The phase diagram of frozen water is famously rich: to date, over twenty crystalline polymorphs have been identified. Of the low-pressure 'ice I' family, hexagonal (Ih) is the prin…

cond-mat.mtrl-sci2026

Molecular neutron spectroscopy techniques applied to ceramics -SiC and -GaO

Adam J. Jackson, Svemir Rudić, Manh Duc Le +1

Neutron spectroscopy is a powerful technique for determining the vibrational states of matter. Instruments with fixed geometry may measure inelastic scattering at a limited set of…

cond-mat.mtrl-sci2025★ 5 cited

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…

cond-mat.mtrl-sci2023

Neutron Spectroscopy and Computational Methods in investigation of Na ion Battery Materials: A Perspective

Rastislav Turányi, Sanghamitra Mukhopadhyay

Adoption of renewable energy is essential to address the challenge of climate change, but that necessitates energy storage technologies. Lithium-ion batteries, the most ubiquitous…

cond-mat.mtrl-sci2022

Soft Anharmonic Coupled Vibrations of Li and SiO4 Enable Li-ion Diffusion in Amorphous Li2Si2O5

Sajan Kumar, Mayanak K. Gupta, Prabhatasree Goel +7

We present the investigations on atomic dynamics and Li+ diffusion in crystalline and amorphous Li2Si2O5 using quasielastic (QENS) and inelastic neutron scattering (INS) studies su…

cond-mat.mtrl-sci2021★ 1 cited

Sodium Diffusion and Dynamics in Na2Ti3O7: Neutron Scattering and Ab-initio Simulations

Ranjan Mittal, Sajan Kumar, Mayanak K. Gupta +7

We have performed quasielastic and inelastic neutron scattering (QENS and INS) measurements from 300 K to 1173 K to investigate the Na-diffusion and underlying host dynamics in Na2…