B. Walker

Efficient approach to time-dependent density-functional perturbation theory for optical spectroscopy.

R. Gebauer, S. Baroni, B. Walker, 2005, Physical review letters.

Quantum nature of the hydrogen bond

A. Michaelides, B. Walker, Xin-Zheng Li, 2011, Proceedings of the National Academy of Sciences.

Ultrasoft pseudopotentials in time-dependent density-functional theory.

R. Gebauer, B. Walker, 2007, The Journal of chemical physics.

Classical and quantum ordering of protons in cold solid hydrogen under megabar pressures

Chris J Pickard, Angelos Michaelides, A. Michaelides, 2013, Journal of physics. Condensed matter : an Institute of Physics journal.

Efficient approach to time-dependent density-functional perturbation theory for optical spectroscopy.

R. Gebauer, S. Baroni, B. Walker, 2005, Physical review letters.

In-plane structure and ordering at liquid sodium surfaces and interfaces from ab initio molecular dynamics.

N. Marzari, B. Walker, C. Molteni, 2007, The Journal of chemical physics.

Ab initio molecular dynamics of metal surfaces

N. Marzari, B. Walker, C. Molteni, 2004 .

Ab initio studies of the passive film formed on iron

B. Walker, M. Ryan, S. Hendy, 2003 .

Layering at liquid metal surfaces: Friedel oscillations and confinement effects

N. Marzari, B. Walker, C. Molteni, 2006 .

Ab initio studies of layering behavior of liquid sodium surfaces and interfaces.

N. Marzari, B. Walker, C. Molteni, 2006, The Journal of chemical physics.

Direct assessment of quantum nuclear effects on hydrogen bond strength by constrained-centroid ab initio path integral molecular dynamics.

A. Michaelides, B. Walker, 2010, The Journal of chemical physics.