Atomic and molecular structure as a research area investigates the spatial arrangement, electronic configuration, and intrinsic quantum properties of atoms and molecules, and how these features determine their spectroscopic, chemical, and physical behavior. It encompasses theoretical and computational methods (e.g., ab initio quantum chemistry, density functional theory, configuration interaction) and experimental techniques (e.g., high-resolution spectroscopy, scattering, synchrotron and XFEL-based probes) to resolve electronic states, bonding patterns, potential energy surfaces, and correlation effects. This field underpins understanding of reactivity, photophysics, materials properties, and the design of novel molecules, clusters, and nanostructures with targeted electronic and structural characteristics.
A team at EPFL and the University of Arizona has discovered that making molecules bigger and more flexible can actually extend the life of quantum charge flow, a finding that could help shape the future of quantum technologies ...
Quantum Physics
Jun 4, 2025
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44
In a variety of technological applications related to chemical energy generation and storage, atoms and molecules diffuse and react on metallic surfaces. Being able to simulate and predict this motion is crucial to understanding ...
Condensed Matter
Jun 3, 2025
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158
The precise measurement of states in atomic and molecular systems can help to validate fundamental physics theories and their predictions. Among the various platforms that can help to validate theoretical predictions are ...
When a molecule absorbs light, it undergoes a whirlwind of quantum-mechanical transformations. Electrons jump between energy levels, atoms vibrate, and chemical bonds shift—all within millionths of a billionth of a second.
Quantum Physics
May 17, 2025
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100
An international team of researchers has successfully controlled the flow of energy in a molecule with the help of its pH value. The results of the study, led by Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU), could ...
Optics & Photonics
May 12, 2025
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65
Historically, the vast majority of pharmaceutical drugs have been meticulously designed down to the atomic level. The specific location of each atom within the drug molecule is a critical factor in determining how well it ...
Bio & Medicine
Apr 25, 2025
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42
A research team has successfully observed and identified the water-induced degradation mechanism of perovskite, which is a next-generation optoelectronic material, in real time at the atomic scale. Published in Matter, this ...
Nanomaterials
Apr 9, 2025
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33
A research team led by Professor Hyung-Joon Shin from the Department of Materials Science and Engineering at UNIST has succeeded in elucidating the quantum phenomenon occurring within a triangular cluster of three water molecules. ...
Nanophysics
Mar 24, 2025
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105
New theoretical physics research introduces a simulation method of machine-learning-based effective Hamiltonian for super-large-scale atomic structures. This effective Hamiltonian method could simulate much larger structures ...
General Physics
Mar 17, 2025
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48
Researchers at Ruhr University Bochum, Germany, have shed light on the structure of supercritical water. In this state, which exists at extreme temperatures and pressures, water has the properties of both a liquid and a gas ...
Soft Matter
Mar 17, 2025
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90
