Matt Probert
University of York(GB)
Publications by Year
Research Areas
X-ray Diffraction in Crystallography, Advanced Chemical Physics Studies, Crystallization and Solubility Studies, High-pressure geophysics and materials, Spectroscopy and Quantum Chemical Studies
Most-Cited Works
- → First principles methods using CASTEP(2005)14,006 cited
- → First-principles simulation: ideas, illustrations and the CASTEP code(2002)11,639 cited
- → Reproducibility in density functional theory calculations of solids(2016)1,580 cited
- → Exploring atomic defects in molybdenum disulphide monolayers(2015)1,489 cited
- → Density functional theory in the solid state(2014)387 cited
- → Electron and vibrational spectroscopies using DFT, plane waves and pseudopotentials: CASTEP implementation(2010)325 cited
- → Improving the convergence of defect calculations in supercells: Anab initiostudy of the neutral silicon vacancy(2003)177 cited
- → A periodic genetic algorithm with real-space representation for crystal structure and polymorph prediction(2006)167 cited
- → Quantum Nature of the Proton in Water-Hydroxyl Overlayers on Metal Surfaces(2010)122 cited
- → Stiffness and thermal expansion of ZrB2: anab initiostudy(2005)101 cited