3 citations · 4 across the 3 of their papers we have counts for
3 papers
Stability and Structure of Binary Metal Hydrides under Pressure, Electrochemical Potential and Combined Pressure-Electrochemistry
Mgcini Keith Phuthi, Pin-Wen Guan, Russell J. Hemley +1
Metal hydrides can be tuned to have a diverse range of properties and find applications in hydrogen storage and superconductivity. Finding methods to control the synthesis of hydri…
Vibrational Entropy and Free Energy of Solid Lithium using Covariance of Atomic Displacements Enabled by Machine Learning
Mgcini Keith Phuthi, Yang Huang, Michael Widom +1
Vibrational properties of solids are key to determining stability, response and functionality. However, they are challenging to computationally predict at Ab-Initio accuracy, even…
Accurate Surface and Finite Temperature Bulk Properties of Lithium Metal at Large Scales using Machine Learning Interaction Potentials
Mgcini Keith Phuthi, Archie Mingze Yao, Simon Batzner +4
The properties of lithium metal are key parameters in the design of lithium ion and lithium metal batteries. They are difficult to probe experimentally due to the high reactivity a…