140 citations · 486 across the 18 of their papers we have counts for
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cond-mat.mtrl-sci2019★ 32 cited
Nonlocal Subsystem Density Functional Theory
Wenhui Mi, Michele Pavanello
By invoking a divide-and-conquer strategy, subsystem DFT dramatically reduces the computational cost of large-scale, \textit{ab-initio} electronic structure simulations of molecule…
physics.chem-ph2019
Ab-initio structure and dynamics of supercritical CO2
Wenhui Mi, Pablo Ramos, Jack Maranhao +1
Green technologies rely on green solvents and fluids. Among them, supercritical CO2 already finds many important applications. The molecular level understanding of the dynamics and…