Quantification of chirality using continuous chirality measure (CCM): From molecules to crystals

Chirality, the geometric property of non-superimposability on a mirror image, is a fundamental property across chemistry, biology, and materials science and plays a critical role in tailoring exotic chirality-induced phenomena such as the chirality-induced spin selectivity effect and nonreciprocal transport in electronics, spintronics, photonics, and phononics. Quantifying the degree of chirality remains nontrivial, particularly in complex molecular assemblies and crystalline systems. Continuous Chirality Measure (CCM) offers a direct geometry-based framework to assess structural deviations from improper symmetry operations such as mirror symmetry and inversion symmetry, through which the degree of chirality can be quantitatively determined. In this Perspective, we provide a comprehensive review of the theoretical basis of CCM, its historical development, recent algorithmic advances for large and periodic systems, and representative examples, including molecules and crystals. By evaluating directional, symmetry-specific measures, CCM reveals structure–property correlations associated with geometry and composition. We envision that, by linking CCM with chirality-induced phenomena, it can serve as a quantitative metric for characterizing chirality in various functional materials.

Authors

Institutions

Publication Details

Journal
APL Computational Physics
Published
2025-10-28
DOI
https://doi.org/10.1063/5.0288724
Citations
1
Primary Topic
Synthesis and Properties of Aromatic Compounds
Type
article
Field-Weighted Citation Impact
0.94
Controls
|||
ALL TIME
JAN
FEB
MAR
APR
MAY
JUN
JUL
AUG
SEP
OCT
article

Quantification of chirality using continuous chirality measure (CCM): From molecules to crystals

Jùn Líu, S. U. Khan, Dali Sun, Cong Yang
1 citations
APL Computational Physics
Synthesis and Properties of Aromatic Compounds
0.94
article

Quantification of chirality using continuous chirality measure (CCM): From molecules to crystals

Jùn Líu, S. U. Khan, Dali Sun, Cong Yang
article en
1 citations

Abstract

Chirality, the geometric property of non-superimposability on a mirror image, is a fundamental property across chemistry, biology, and materials science and plays a critical role in tailoring exotic chirality-induced phenomena such as the chirality-induced spin selectivity effect and nonreciprocal transport in electronics, spintronics, photonics, and phononics. Quantifying the degree of chirality remains nontrivial, particularly in complex molecular assemblies and crystalline systems. Continuous Chirality Measure (CCM) offers a direct geometry-based framework to assess structural deviations from improper symmetry operations such as mirror symmetry and inversion symmetry, through which the degree of chirality can be quantitatively determined. In this Perspective, we provide a comprehensive review of the theoretical basis of CCM, its historical development, recent algorithmic advances for large and periodic systems, and representative examples, including molecules and crystals. By evaluating directional, symmetry-specific measures, CCM reveals structure–property correlations associated with geometry and composition. We envision that, by linking CCM with chirality-induced phenomena, it can serve as a quantitative metric for characterizing chirality in various functional materials.

APL Computational PhysicsVol. 1(2)
North Carolina State University (US)
Openalex Percentile: Top 20%
Synthesis and Properties of Aromatic Compounds
0.94
AI Navigator

Ask Laika to Summarize, Analyze, and Connect papers live on the map.

Summarize Papers & Methodologies

Extract key findings, datasets, and comparative methods across publications.

Benchmark Rankings & Visual Analytics

Rank top research institutions, authors, funders, topics, and journals by Field-Weighted Citation Impact (FWCI) and paper volume with instant charts.

Connect Distant Disciplines

Bridge topological clusters on the map to find hidden collaborative intersections.