Bandgap Engineering in the Configurational Space of Solid Solutions via Machine Learning: (Mg,Zn)O Case Study

por Midgley, Scott D., Hamad, Said, Butler, Keith T., Grau-Crespo, Ricardo
Publicado 2021

Sulfate and Molybdate Incorporation at the Calcite–Water Interface: Insights from Ab Initio Molecular Dynamics

por Midgley, Scott D., Di Tommaso, Devis, Fleitmann, Dominik, Grau-Crespo, Ricardo
Publicado 2021

Understanding X-ray Photoelectron Spectra of Ionic Liquids: Experiments and Simulations of 1-Butyl-3-methylimidazolium Thiocyanate

por Gousseva, Ekaterina, Midgley, Scott D., Seymour, Jake M., Seidel, Robert, Grau-Crespo, Ricardo, Lovelock, Kevin R. J.
Publicado 2022

Single-site binding of pyrene to poly(ester-imide)s incorporating long spacer-units: prediction of NMR resonance-patterns from a fractal model

por Knappert, Marcus, Jin, Tianqi, Midgley, Scott D., Wu, Guanglu, Scherman, Oren A., Grau-Crespo, Ricardo, Colquhoun, Howard M.
Publicado 2020