237 citations · 281 across the 4 of their papers we have counts for
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Classical and quantum ordering of protons in cold solid hydrogen under megabar pressures
Xin-Zheng Li, Brent Walker, Matthew I. J. Probert +3
A combination of state-of-the-art theoretical methods has been used to obtain an atomic-level picture of classical and quantum ordering of protons in cold high-pressure solid hydro…
In-plane structure and ordering at liquid sodium surfaces and interfaces from ab initio molecular dynamics
Brent Walker, Nicola Marzari, Carla Molteni
Atoms at liquid metal surfaces are known to form layers parallel to the surface. We analyze the two-dimensional arrangement of atoms within such layers at the surface of liquid sod…
Layering at liquid metal surfaces and interfaces: Friedel oscillations and confinement effects
Brent G. Walker, Nicola Marzari, Carla Molteni
The structures of the liquid surface and the liquid-solid interface of sodium have been characterized with extensive first-principles molecular dynamics simulations. Friedel oscill…
A new and efficient approach to time-dependent density-functional perturbation theory for optical spectroscopy
B. Walker, A. M. Saitta, R. Gebauer +1
Using a super-operator formulation of linearized time-dependent density-functional theory, the dynamical polarizability of a system of interacting electrons is given a matrix conti…