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.
Computational chemists at the University of Amsterdam's Van 't Hoff Institute for Molecular Sciences have developed a comprehensive software suite to create accurate models of DNA in biomolecular assemblies. Called MDNA, ...
Biotechnology
Jun 3, 2026
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For two decades, physicists have predicted the existence of a remarkable family of exotic molecules: giant atoms bound to ordinary atoms, with an electron so distant from its nucleus that it sculpts the pair into bizarre ...
Many drug and antibody discovery pathways focus on intricately folded cell membrane proteins. When molecules of a drug candidate bind to these proteins, like a key going into a lock, they trigger chemical cascades that alter ...
Biotechnology
May 13, 2026
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Different receptors respond to different neurotransmitters or hormones, such as adrenaline involved in the fight-or-flight response, or dopamine linked to reward and motivation. Both the receptors themselves and the substances ...
Molecular & Computational biology
May 12, 2026
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From smartphone charging to hydrogen production, the fundamental principles of energy technology have been revealed. Korean researchers have, for the first time, identified how molecular structures change within the ultra-small ...
Nanophysics
May 4, 2026
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Materials called relaxor ferroelectrics have been used for decades in technologies like ultrasounds, microphones, and sonar systems. Their unique properties come from their atomic structure, but that structure has stubbornly ...
Nanomaterials
Apr 30, 2026
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The most demanding calculations in quantum chemistry can now be solved with graphics processing unit (GPU) supercomputers. A recently published study shows that software adapted to use GPU hardware can provide not just speed, ...
Quantum Physics
Apr 23, 2026
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Researchers in the UC Santa Barbara Materials Department have uncovered the elusive quantum mechanism by which energetic electrons break chemical bonds inside microelectronic devices—a detrimental process that slowly degrades ...
Condensed Matter
Apr 19, 2026
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Scientists have directly observed muonic molecules in resonance states for the first time, using a high-resolution X-ray detector, a new Science Advances study reports.
Plasma Physics
Apr 17, 2026
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The simplicity of a hydrogen atom makes it an ideal model for studying atomic structure and interactions. Yet, despite the fact that its simplest form consists of only one proton and one electron, physicists have had a hard ...
