3 citations · 3 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…
Learning second-order TVD flux limiters using differentiable solvers
Chenyang Huang, Amal S. Sebastian, Venkatasubramanian Viswanathan
This paper presents a data-driven framework for learning optimal second-order total variation diminishing (TVD) flux limiters via differentiable simulations. In our fully different…
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…