Barry Haycock

Advances and applications in the F<scp>IREBALL</scp><i>ab initio</i> tight‐binding molecular‐dynamics formalism

James P. Lewis, Pavel Jelı́nek, José Ortega et al. · physica status solidi (b) · 2011 · 248 citations

Natural Sciences, Chemistry, Materials Science +16

Nonadiabatic Ensemble Simulations of <i>cis-</i>Stilbene and <i>cis</i>-Azobenzene Photoisomerization

Amanda J. Neukirch, Logan C. Shamberger, E. Abad et al. · Journal of Chemical Theory and Computation · 2013 · 61 citations

Natural Sciences, Chemistry, Physics +17

The effect of electronic structure changes in NaInO₂and NaIn_0.9Fe_0.1O₂on the photoreduction of methylene blue

Jonathan W. Lekse, Barry Haycock, James P. Lewis et al. · Journal of Materials Chemistry A · 2014 · 19 citations

Natural Sciences, Chemical Engineering, Chemistry +17

High-throughput calculations of alloyed delafossite materials: Application to CuGa1−xFexO2

Barry Haycock, M. Kylee Rice, James P. Lewis · Computational Materials Science · 2014 · 14 citations

Natural Sciences, Materials Engineering, Materials Science +13

Optical absorption and disorder in delafossites

Tess R. Senty, Barry Haycock, Jonathan W. Lekse et al. · Applied Physics Letters · 2017 · 12 citations · Full text

Natural Sciences, Materials Science, Physics +15