954 citations · 2.2k across the 23 of their papers we have counts for
4 papers · 1 filter
The first-principles phase diagram of monolayer nanoconfined water
Venkat Kapil, Christoph Schran, Andrea Zen +3
Water in nanoscale cavities is ubiquitous and of central importance to everyday phenomena in geology and biology. However, the properties of nanoscale water can be remarkably diffe…
Measuring phonon dispersion at an interface
Ruishi Qi, Ruochen Shi, Yuanwei Sun +9
The breakdown of translational symmetry at heterointerfaces leads to the emergence of new phonon modes localized near the interface. These interface phonons play an essential role…
Microscopic kinetics pathway of salt crystallization in graphene nanocapillaries
Lifen Wang, Ji Chen, Stephen J. Cox +7
The fundamental understanding of crystallization, in terms of microscopic kinetic and thermodynamic details, remains a key challenge in the physical sciences. Here, by using in sit…
A full configuration interaction quantum Monte Carlo study of ScO, TiO and VO molecules
Tonghuan Jiang, Yilin Chen, Nikolay Bogdanov +3
Accurate ab initio calculations of 3d transition metal monoxide molecules have attracted extensive attention because of its relevance in physical and chemical science, as well as t…