Quantum crystallography integrates experimental diffraction data from X-ray with quantum mechanical computations, enabling the study of electronic structures, bonding, and dynamic behavior at unprecedented levels of detail.
The combination of these techniques has expanded the boundaries of structural science, unveiling new opportunities to understand material properties under external stimuli such as electric fields, pressure, magnetic fields, and temperature. In addition, the development of advanced software tools, algorithms, and machine learning methods has revolutionized data analysis and modeling, paving the way for enhanced accuracy and efficiency in structural studies.
This Special Topic seeks to explore and promote the synergistic roles of neutron scattering and quantum crystallography in solving complex scientific challenges across diverse disciplines. From understanding hydrogen bonding and spin densities to investigating time-dependent phenomena and energy-resolved behaviors, this collection will showcase cutting-edge research with a broad scope and high impact.
This Special Topic aims to highlight the latest advancements and innovative approaches in neutron scattering and quantum crystallography, emphasizing their transformative impact on structural science.
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