Density functional theory (DFT) is a widely used computational method for carrying out quantum calculations in chemistry, materials science, and biology research. Despite its enormous popularity and ...

Combinatorial geometry and density problems form a dynamic field at the intersection of discrete mathematics and geometric analysis. Research in this area explores the intricate arrangements of points ...

Chemists use density functional theory (DFT) to accurately approximate the exact properties—like free energies—of molecules or materials in a reasonable amount of time. The method is widely used even ...

Note: This video is designed to help the teacher better understand the lesson and is NOT intended to be shown to students. It includes observations and conclusions that students are meant to make on ...