Recent Research Highlights
Computational methods
A Cluster of PCs for High-Performance Computing
A Density Functional Method with Localized Densities
DoD Planewave: A General Scalable Density Functional Code for Materials
Tight-Binding Parametrization of Elements and Compounds
Ferroelectrics
Lattice Dynamics Determination Through First-Principles Calculations
Magnetic materials
Competition of Ferro- and Antiferromagnetism and Triplet and Singlet Superconductivity in Sr2RuO
Computational Design of Molecular Assembled Magnets
Magnetism in the Pb/Ge(111) and Sn/Ge(111) Surfaces
Molecules and clusters
Adsorption and Dissociation of Hydrazoic Acid on Al(111)
Analyzing the Properties of the Highly Energetic Molecule Octanitrocubane
Computational Analysis of Clathrates
Computational Design of Molecular Assembled Magnets
Multiscale methods
Multiscale Simulations: Fracture Failure of Materials
Radiation in matter
Influence of Relaxation Phenomena on Coherent, Resonant Electromagnetic Interactions of Quantized Electronic Systems
Superconductors
Fluctuations and Superconductivity
Surfaces and Interfaces
Magnetism in the Pb/Ge(111) and Sn/Ge(111) Surfaces
Vacancy Lines on Ga/Si(112)
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