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

Search research articles

Related Experiment Video

Updated: May 15, 2026

A Pipeline to Investigate the Structures and Signaling Pathways of Sphingosine 1-Phosphate Receptors

A Pipeline to Investigate the Structures and Signaling Pathways of Sphingosine 1-Phosphate Receptors

Published on: June 8, 2022

An effective structure prediction method for layered materials based on 2D particle swarm optimization algorithm.

Yanchao Wang¹, Maosheng Miao, Jian Lv

¹State Key Laboratory of Superhard Materials, Jilin University, Changchun 130012, China.

The Journal of Chemical Physics

|December 20, 2012

Summary

This summary is machine-generated.

Related Concept Videos

Predicting Molecular Geometry

Predicting Molecular Geometry

VSEPR Theory for Determination of Electron Pair Geometries

You might also read

Related Articles

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

Sort by

Same author

Research trends and potential molecular intersections between diabetic kidney disease and sarcopenia: a 21-year bibliometric and bioinformatics analysis.

Frontiers in endocrinology·2026

Same author

Trichlorfon induces hemolymph dysbiosis, oxidative stress, and immune response in Chinese mitten crab (Eriocheir sinensis).

Developmental and comparative immunology·2026

Same author

Pressure-Induced Electronic Topological Transition and Superconducting Transition in Two-Dimensional Topological Insulator GeBi<sub>2</sub>Te<sub>4</sub>.

Inorganic chemistry·2026

Same author

Protocol for ultrafast immunolabeling and 3D imaging of whole organs and large tissues.

STAR protocols·2026

Same author

The nucleosome assembly protein 1 like 1: From histone chaperone to disease regulator.

Biochemical pharmacology·2026

Same author

From complexity to clarity: aging bone marrow niche in bone and blood regeneration and malignancy.

Bone research·2026

Same journal

Anharmonic phonons via quantum thermal bath simulations.

The Journal of chemical physics·2026

Same journal

Quantum simulation of alignment dependent differential cross sections in co-propagating molecular beams at cold collision energies.

The Journal of chemical physics·2026

Same journal

Non-additive ion effects on the coil-globule equilibrium of a generic polymer in aqueous salt solutions.

The Journal of chemical physics·2026

Same journal

Insights into the unexpected small reduction of the temperature of maximum density of water by lithium chloride addition.

The Journal of chemical physics·2026

Same journal

Optical frequency comb double-resonance spectroscopy of the 9030-9175 cm-1 states of ethylene.

The Journal of chemical physics·2026

Same journal

Time reversal breaking of colloidal particles in cells.

The Journal of chemical physics·2026

See all related articles

A new computational method enhances the discovery of layered materials, successfully predicting structures for known 2D materials and novel boron nitride compounds with tunable electronic properties.

Area of Science:

Materials Science
Computational Chemistry
Condensed Matter Physics

Background:

Predicting stable atomic structures for layered materials is crucial for discovering new functional materials.
Existing methods often struggle with the vast structural search space and computational expense.

Purpose of the Study:

To develop an efficient structure prediction method for two-dimensional (2D) layered materials.
To improve the global structural search efficiency using advanced computational techniques.

Main Methods:

Developed a 2D particle swarm optimization algorithm incorporating atomic relaxation in the perpendicular direction.
Implemented structural similarity determination, symmetry constraints, and space gridding for enhanced search efficiency.
Utilized first-principles electronic structure calculations to analyze predicted material properties.

Related Experiment Videos

Last Updated: May 15, 2026

A Pipeline to Investigate the Structures and Signaling Pathways of Sphingosine 1-Phosphate Receptors

A Pipeline to Investigate the Structures and Signaling Pathways of Sphingosine 1-Phosphate Receptors

Published on: June 8, 2022

Main Results:

Successfully predicted known 2D material structures, including graphene, boron nitride (BN), and transition metal chalcogenides.
Discovered a new family of monolayer boron nitride structures with varying chemical compositions.
Demonstrated tunable electronic band gaps in N-rich BN systems from 5.40 eV to 2.20 eV.

Conclusions:

The developed method significantly improves the efficiency of 2D material structure prediction.
The predicted novel BN structures offer tunable electronic properties for potential applications.
This approach facilitates the discovery of new functional layered materials.