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.
A team of scientists from Oak Ridge National Laboratory, Cleveland Clinic and IBM has calculated nine molecular configurations of a promising material to produce fuel for fusion energy—the first known instance of such computations ...
Quantum Physics
11 hours ago
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Physicists have long puzzled over a strange contradiction inside a family of minerals called rutile oxides. These materials all share the same crystal structure—but while some of them, like titanium dioxide, are firmly insulating, ...
Carbon materials, such as carbon fibers and activated carbons, are essential across a wide variety of fields, encompassing everything from aerospace engineering to fuel cells and thermal insulation. For decades, Raman, infrared ...
Nanomaterials
Jul 1, 2026
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Plutonium is one of the most complex elements in the periodic table. First synthesized and isolated in 1940 by scientists at the University of California, Berkeley, plutonium has been studied closely for more than eight decades. ...
General Physics
Jun 29, 2026
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Nonlinear optical materials are essential for advanced photonics and laser technologies, but researchers are still searching for ways to optimize organic, carbon-based alternatives. Using computational modeling, scientists ...
Nanophysics
Jun 27, 2026
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Carbon quantum dots (CQDs) are tiny carbon-based nanomaterials that have attracted increasing attention as environmentally friendly alternatives to conventional heavy-metal quantum dots. They are lightweight, photostable ...
Nanophysics
Jun 26, 2026
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A research team has developed a new strategy to simultaneously control the electronic and magnetic properties of oxide thin films through a process known as exsolution. The team was led by Professor Hyeon Han and Professor ...
Nanophysics
Jun 25, 2026
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Magnetic quantum oscillations have been unexpectedly observed in insulators, where freely moving charge carriers are not expected to exist. A joint study by researchers from Tokyo University of Science, The University of ...
Condensed Matter
Jun 23, 2026
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In a recent study, Manish Garg, independent group leader at Max Planck Institute for Solid State Research (MPI FKF), succeeded in probing the local properties of bright and dark excitons in the organic superconductor copper ...
Condensed Matter
Jun 23, 2026
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Researchers at the National Graphene Institute, in collaboration with the National University of Singapore, have shown that the magnetic behavior of electrons in graphene can be precisely controlled using electricity, revealing ...
Condensed Matter
Jun 18, 2026
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