Nanostructures of diverse chemical nature are used as biomarkers, therapeutics, catalysts,
and structural reinforcements. The decoration with surfactants has a long history and is …

Chirality in nanoscience may offer new opportunities for applications beyond the traditional
fields of chirality, such as the asymmetric catalysts in the molecular world and the chiral …

We describe a complete set of algorithms for ab initio molecular simulations based on
numerically tabulated atom-centered orbitals (NAOs) to capture a wide range of molecular …

Surface microscopy using vacuum tunneling is demonstrated for the first time. Topographic
pictures of surfaces on an atomic scale have been obtained. Examples of resolved …

This important book focuses on the synthesis and fabrication of nanostructures and
nanomaterials, but also includes properties and applications of nanostructures and …

Colloidal metal nanoparticles are emerging as key materials for catalysis, plasmonics,
sensing, and spectroscopy. Within these applications, control of nanoparticle shape lends …

High momentum resolution angle resolved photoemission spectra from the Au (111) sp-
derived surface state exhibit a doublet. The separation between the peaks increases linearly …

High-resolution scanning tunneling microscopy data on the reconstructed Au (111) surface
are presented that give a comprehensive picture of the atomic structure, the long-range …

Understanding how molecules can restructure the surfaces of heterogeneous catalysts
under reaction conditions requires methods that can visualize atoms in real space and time …

We consider the problem of developing O (N) scaling grid-based operations needed in
many central operations when performing electronic structure calculations with numeric …