Johnson Matthey (United Kingdom)

output

20082022

most citedHydrogen Dissociation and Diffusion on Ni and Ti -doped Mg(0001) Surfaces

78 citations

10 papers

quant-ph2022★ 33 cited

Quantum Computation for Periodic Solids in Second Quantization

Aleksei V. Ivanov, Christoph Sünderhauf, Nicole Holzmann +4

In this work, we present a quantum algorithm for ground-state energy calculations of periodic solids on error-corrected quantum computers. The algorithm is based on the sparse qubi…

cond-mat.str-el2021★ 12 cited

Site-selective $d^{10}$ / $d^{0}$ substitution in a $S = 1/2$ spin ladder Ba $_{2}$ CuTe $_{1 - x}$ W $_{x}$ O $_{6}$ ( $0 \leq x \leq 0.3$ )

Charlotte E. Pughe, Otto H. J. Mustonen, Alexandra S. Gibbs +9

Remarkably, doping isovalent $d^{10}$ and $d^{0}$ cations onto the $B$ '' site in $A_{2} B$ ' $B$ ''O $_{6}$ double perovskites has the power to direct the magnetic interactions between magnet…

cond-mat.str-el2020★ 30 cited

Diamagnetic d-orbitals Drive Magnetic Structure Selection in the Double Perovskite Ba $_{2}$ MnTeO $_{6}$

Otto H. J. Mustonen, Charlotte E. Pughe, Helen C. Walker +4

B-site ordered A $_{2}$ B'B''O $_{6}$ double perovskites have a variety of applications as magnetic materials. Here we show that diamagnetic $d^{10}$ and $d^{0}$ B'' cations have a signific…

quant-ph2020★ 39 cited

Computation of molecular excited states on IBM quantum computers using a discriminative variational quantum eigensolver

Jules Tilly, Glenn Jones, Hongxiang Chen +2

Solving for molecular excited states remains one of the key challenges of modern quantum chemistry. Traditional methods are constrained by existing computational capabilities, limi…

cond-mat.mtrl-sci2019★ 17 cited

Long and short range magnetism in the frustrated double perovskite Ba2MnWO6

Heather Mutch, Otto Mustonen, Helen C. Walker +4

The structural and magnetic properties of the face-centered cubic double perovskite Ba2MnWO6 were investigated using neutron powder diffraction, DC-magnetometry, muon spin relaxati…

cond-mat.soft2019★ 20 cited

Granulation and suspension rheology: a unified treatment

Daniel J. M. Hodgson, Michiel Hermes, Elena Blanco +1

Mixing a small amount of liquid into a powder can give rise to dry-looking granules; increasing the amount of liquid eventually produces a flowing suspension. We perform experiment…