Search research articles

ABOUT JoVE

Overview Leadership Blog JoVE Help Center

AUTHORS

Publishing Process Editorial Board Scope & Policies Peer Review FAQ Submit

LIBRARIANS

Testimonials Subscriptions Access Resources Library Advisory Board FAQ

RESEARCH

JoVE Journal Methods Collections JoVE Encyclopedia of Experiments Archive

EDUCATION

JoVE Core JoVE Business JoVE Science Education JoVE Lab Manual Faculty Resource Center Faculty Site

Terms & Conditions of Use

Related Concept Videos

X-ray Crystallography

X-ray Crystallography

The size of the unit cell and the arrangement of atoms in a crystal may be determined from measurements of the diffraction of X-rays by the crystal, termed X-ray crystallography.
Diffraction
Diffraction is the change in the direction of travel experienced by an electromagnetic wave when it encounters a physical barrier whose dimensions are comparable to those of the wavelength of the light. X-rays are electromagnetic radiation with wavelengths about as long as the distance between neighboring...

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by

Same author

Higher-order metal-organic halogen-bonded cocrystals relying on a single supramolecular synthon.

Chemical science·2026

Same author

BEST-CSP Benchmark Study of Polymorphs I and II of Sulfamerazine and the Perils of Polytype Polymorphs.

Crystal growth & design·2026

Same author

Experimentally Derived Charge Density of Halogen Bonds to Heavy Pnictogens: Revealing Electronic Structure and Validating Density Functional Theory Approaches.

Journal of the American Chemical Society·2025

Same author

Mechanochemical Solid Form Screening of Zeolitic Imidazolate Frameworks Using Structure-Directing Liquid Additives.

Journal of the American Chemical Society·2025

Same author

Green and Scalable Preparation of Highly Conductive Alkali Metal-dhta Coordination Polymers.

Inorganic chemistry·2024

Same author

Perhalogenated Anilines as Bifunctional Donors of Hydrogen and Halogen Bonds in Cocrystals with Ditopic Nitrogen-Containing Acceptors.

Crystal growth & design·2024

Search research articles

Related Experiment Video

Updated: Jun 6, 2025

Sample Preparation and Transfer Protocol for In-Vacuum Long-Wavelength Crystallography on Beamline I23 at Diamond Light Source

Sample Preparation and Transfer Protocol for In-Vacuum Long-Wavelength Crystallography on Beamline I23 at Diamond Light Source

Published on: April 23, 2021

The seventh blind test highlights exciting developments in crystal structure prediction.

Mihails Arhangelskis¹

¹Faculty of Chemistry, University of Warsaw, 1 Pasteura Street, Warsaw, 02-093, Poland.

Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials

|December 2, 2024

Summary

The seventh blind test evaluated advanced crystal structure prediction methods. It focused on novel techniques for generating and ranking potential crystal structures.

Keywords:

crystal forms crystal structure prediction energy ranking polymorphism

More Related Videos

Fully Autonomous Characterization and Data Collection from Crystals of Biological Macromolecules

Fully Autonomous Characterization and Data Collection from Crystals of Biological Macromolecules

Published on: March 22, 2019

Derivatization of Protein Crystals with I3C using Random Microseed Matrix Screening

Derivatization of Protein Crystals with I3C using Random Microseed Matrix Screening

Published on: January 16, 2021

Related Experiment Videos

Last Updated: Jun 6, 2025

Sample Preparation and Transfer Protocol for In-Vacuum Long-Wavelength Crystallography on Beamline I23 at Diamond Light Source

Sample Preparation and Transfer Protocol for In-Vacuum Long-Wavelength Crystallography on Beamline I23 at Diamond Light Source

Published on: April 23, 2021

Fully Autonomous Characterization and Data Collection from Crystals of Biological Macromolecules

Fully Autonomous Characterization and Data Collection from Crystals of Biological Macromolecules

Published on: March 22, 2019

Derivatization of Protein Crystals with I3C using Random Microseed Matrix Screening

Derivatization of Protein Crystals with I3C using Random Microseed Matrix Screening

Published on: January 16, 2021

Area of Science:

Crystallography
Materials Science
Computational Chemistry

Background:

Crystal structure prediction is crucial for materials discovery.
Blind tests provide objective evaluations of prediction methods.
The seventh blind test focused on assessing state-of-the-art techniques.

Purpose of the Study:

To evaluate the performance of current crystal structure prediction methods.
To identify leading approaches in structure generation.
To assess the accuracy of energy ranking algorithms.

Main Methods:

Analysis of results from the seventh blind test on crystal structure prediction.
Review of computational strategies for generating candidate crystal structures.
Evaluation of methods used for ranking predicted structures by energy.

Main Results:

The reports highlight innovative methods for generating diverse crystal structures.
Advanced energy ranking techniques show improved accuracy in identifying the true crystal structure.
Performance variations among different prediction approaches were observed.

Conclusions:

Cutting-edge methods demonstrate significant progress in crystal structure prediction.
Continued development in structure generation and energy ranking is essential for materials science.
The blind test serves as a vital benchmark for the field.