Neutron Scattering and Quantum Crystallography
Research in neutron scattering and quantum crystallography is advancing rapidly, offering unparalleled insights into the structural, electronic, and dynamic properties of materials. Neutron scattering excels in probing light elements such as hydrogen, magnetic structures, and lattice dynamics, often revealing information inaccessible to other techniques. 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 issue 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 issue aims to highlight the latest advancements and innovative approaches in neutron scattering and quantum crystallography, emphasizing their transformative impact on structural science.
Topics covered include, but are not limited to:
- Structural studies using advanced neutron scattering techniques
- Quantum crystallographic approaches to electronic structures, bonding, and properties
- Dynamics and disorders and diffuse scattering in materials
- Energy-resolved studies under external stimuli such as electric fields, pressure, magnetic fields, and temperature
- Development of advanced software tools, machine learning, and high-performance computing and modeling for data analysis
- Polarized neutron diffraction and spin density research
- Time-resolved neutron scattering and quantum crystallography for in situ studies
- Applications in pharmaceuticals, energy storage and transfer, catalysis and other functional materials
Guest Editors:
Xiaoping Wang, Oak Ridge National Laboratory
Anna Hoser, University of Warsaw