Electronic structure as a research area focuses on the quantum-mechanical description of electrons in atoms, molecules, solids, and nanostructures, and on how this governs their structural, spectroscopic, and transport properties. It encompasses the development and application of theoretical methods such as density functional theory, wavefunction-based quantum chemistry, many-body perturbation theory, and quantum Monte Carlo to compute energies, charge densities, band structures, and excited states. The field underpins predictive materials design, catalysis, electronic and photonic device engineering, and strongly correlated systems research by linking microscopic electron behavior to macroscopic observables and emergent phenomena.
Researchers at the Institute for Molecular Science (IMS) have definitively resolved a two-decade-long controversy regarding the direction of electron spin on the surface of gold.
Condensed Matter
Nov 18, 2025
0
68
A collaborative European research team led by physicists from Slovak Academy of Sciences has theorized a new approach to control spin currents in graphene by coupling it to a ferroelectric In2Se3 monolayer. Using first-principles ...
Condensed Matter
Nov 14, 2025
0
145
A team of researchers at the Max Born Institute have managed to fully characterize few-femtosecond-long light pulses tunable in the vacuum ultraviolet. These results unlock the possibility for studying valence electron dynamics ...
Optics & Photonics
Nov 7, 2025
0
64
From the burning of wood to the action of medicines, the properties and behavior of matter are governed by the way chemical elements bond with one another. For many of the 118 known elements, the intricate electronic structures ...
General Physics
Nov 3, 2025
0
60
Physicists at the Max Planck Institute for the Structure and Dynamics of Matter (MPSD) in Hamburg have discovered a striking new form of quantum behavior. In star-shaped Kagome crystals—named after a traditional Japanese ...
Condensed Matter
Oct 30, 2025
1
177
Graphene and its molecular fragments, known as nanographenes, are key materials for next-generation organic electronics due to their tunable π-electron frameworks. The physical and electronic properties of nanographenes are ...
Nanophysics
Oct 28, 2025
0
21
For the first time, a team at BESSY II has succeeded in demonstrating the one-dimensional electronic properties of a material through a highly refined experimental process.
Nanophysics
Oct 21, 2025
0
51
What happens when electrons leave a solid material? This seemingly simple phenomenon has, until now, eluded accurate theoretical description. In a new study, researchers have found the missing piece of the puzzle.
Condensed Matter
Oct 20, 2025
3
251
Graphene, which is comprised of a single layer of carbon atoms arranged in a hexagonal lattice, is a widely used material known for its advantageous electrical and mechanical properties. When graphene is stacked in a so-called ...
Imagine industrial processes that make materials or chemical compounds faster, cheaper, and with fewer steps than ever before. Imagine processing information in your laptop in seconds instead of minutes or a supercomputer ...
Condensed Matter
Oct 14, 2025
0
125
