Thoughts Atomistic Modelling (CASTEP) Apr 15, 2023 1 min read Photo by FLY:D / Unsplash The following work uses Density Functional Theory (CASTEP) to study the structure and electronic properties of white and black phosphorus. Atomistic Modelling of White and Black Phosphorus Department of Materials, University of Oxford Atomistic Modelling of White and Black Phosphorus.pdf 1 MB download-circle ThoughtsProjects
Thoughts Materials Modelling (DFT & MD) The following work uses Density Functional Theory (CASTEP) and Molecular Dynamics (LAMMPS)
Thoughts Materials Modelling (DFT & MD) The following work uses Density Functional Theory (CASTEP) and Molecular Dynamics (LAMMPS)
