A Cautionary Tale of Two Basis Sets and Graphene PROJECT TITLE :A Cautionary Tale of Two Basis Sets and GrapheneABSTRACT:Density functional theory is a leading approach for simulating materials. However, the basis set used in calculations can directly affect our understanding of a material. By comparing two basis sets for graphene, this highlights an important subtle point for computational materials science and how it can affect interpretation of characterization techniques and electronic transport predictions. Did you like this research project? To get this research project Guidelines, Training and Code... Click Here facebook twitter google+ linkedin stumble pinterest This Isn't Your Parents' Fortran: Managing C++ Objects with Modern Fortran Monte Carlo-Based Approach for Simulating Nanostructured Catalytic and Electrocatalytic Systems
