3 papers
cond-mat.mtrl-sci2026
Local Structure and Dynamics of Three-Dimensional Covalent Organic Frameworks
Francesco Tavani, Saber Mirzaei, Jian Yin +6
Resolving and controlling the local dynamical properties of covalent organic frameworks (COFs) remains a central challenge, particularly when assembled from large, flexible buildin…
cs.LG2025
CbLDM: A Diffusion Model for recovering nanostructure from atomic pair distribution function
Jiarui Cao, Zhiyang Zhang, Heming Wang +4
The nanostructure inverse problem is an attractive problem that helps researchers to understand the relationship between the properties and the structure of nanomaterials. This stu…
cond-mat.mtrl-sci2024
A continuous symmetry breaking measure for finite clusters using Jensen-Shannon divergence
Ling Lan, Qiang Du, Simon J. L. Billinge
A quantitative measure of symmetry breaking is introduced that allows the quantification of which symmetries are most strongly broken due to the introduction of some kind of defect…