Understanding the origin of magnetic moment enhancement in novel alloys
Magnetic materials have become indispensable to various technologies that support our modern society, such as data storage ...
Density functional theory's self-interaction correction falters in transition metals, study finds
Density functional theory (DFT) is a cornerstone tool of modern physics, chemistry, and engineering used to explore the ...
EurekAlert!4d
Improving density functional theory one flaw at time
Pitt researcher Karl Johnson and scholar Priyanka Bholanath Shukla collaborate to help strengthen an essential electron theory ...
A round-trip journey of electrons: Electron catalysis enables direct fixation of Nâ‚‚ to azo compounds
Nitrogen gas (N2) is one of the most abundant yet highly stable gases in the Earth's atmosphere. Its N≡N triple bond has an ...
Mirage News3d
Refining Density Functional Theory Flaw by Flaw
Density functional theory (DFT) is a cornerstone tool of modern physics, chemistry, and engineering used to explore the behavior of electrons. While ...
GitHub2d
Electron Forge
A complete tool for building modern Electron applications. Electron Forge unifies the existing (and well maintained) build tools for Electron development into a simple, easy to use package so that ...
C&EN4d
Relaxation of Photoexcited Electron–Hole Pairs at Si(111) Surfaces with Adsorbed Ag Monolayered Clusters of Increasing Size
Department of Chemistry and Biochemistry, North Dakota State University, Fargo, North Dakota 58102, United States Department of Natural Sciences, Texas A&M University-San Antonio, San Antonio, Texas ...