10 citations · 26 across the 17 of their papers we have counts for
17 papers
Insights into the long-standing controversy over sound velocities in lizardite
Chenxing Luo, Timothy Liao, Hongjin Wang +1
Serpentine minerals are abundant H-bearing phases in the upper mantle and play a central role in water transport in subduction zones. Lizardite is the low-temperature polymorph exp…
LitCurate: A Configuration-Driven AI-Assisted Framework for Scientific Database Construction with an Application to Lower-Mantle Equation-of-State Data
Abin Shakya, Wilson Samuels, Dominica Wilson +4
The growing scientific literature contains decades of experimental and computational results that could support data-driven and physics-based modeling, yet much of this infor- mati…
Alchemical thermodynamic integration for ab initio free-energy calculations in solutions
Liangrui Wei, Feng Zhang, Renata M. Wentzcovitch +2
We develop an alchemical thermodynamic integration scheme that couples ab initio force calculators on the fly during Monte Carlo and molecular dynamics simulations. The implementat…
Lattice dynamics and the spectroscopic signatures of H-bond disorder in -AlOOH
Chenxing Luo, Sangjoon Lee, Hongjin Wang +2
Raman and infrared anomalies associated with H-bond symmetrization in -AlOOH, including mode softening and linewidth broadening at 5-10 GPa, occur at significantly lower pressur…
Assessing foundational atomistic models for iron alloys under Earth's core conditions
Tianqi Wan, Liangrui Wei, Zepeng Wu +2
We assess the capability of recently developed foundational atomistic models (FAMs) to simulate iron alloys under the extreme pressures and temperatures of Earth's core. Static equ…
A quiet quantum revolution in Earth's deep interior
Renata Wentzcovitch, Laura Cobden, Christine Houser +2
The Earth's lower mantle hosts a subtle but pervasive quantum phenomenon: the pressure-induced spin crossover of iron in its dominant minerals, bridgmanite and ferropericlase. In t…