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.
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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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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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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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
The ultrafast dynamics and interactions of electrons in molecules and solids have long remained hidden from direct observation. For some time now, it has been possible to study these quantum-physical processes—for example, ...
Condensed Matter
Mar 11, 2025
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30
A research team from Seoul National University College of Engineering has developed a technology to observe atomic structural changes of nanoparticles in three dimensions. Their study, which resolves a long-standing challenge ...
Nanophysics
Mar 4, 2025
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26
Two experiment collaborations, the g2p and EG4 collaborations, combined their complementary data on the proton's inner structure to improve calculations of a phenomenon in atomic physics known as the hyperfine splitting of ...
General Physics
Mar 4, 2025
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12
When atoms collide, their exact structure—for example, the number of electrons they have or even the quantum spin of their nuclei—has a lot to say about how they bounce off each other. This is especially true for atoms ...
General Physics
Feb 18, 2025
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85
An international team of scientists has unveiled new insights into the dissociation dynamics of sulfur hexafluoride (SF6) under high-energy X-ray excitation. The study, conducted using advanced synchrotron radiation techniques, ...
General Physics
Feb 18, 2025
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