Science & ResearchAug 31, 2026
Chemically Resolved Topological Coordinates Link Structural Dynamics and Configurational Thermodynamics
Atomic coordinates specify a structure, but they do not reveal how chemical connectivity across several length scales relates to atomic motion and configurational energy ordering.
Atomic coordinates specify a structure, but they do not reveal how chemical connectivity across several length scales relates to atomic motion and configurational energy ordering. We formulate chemically directed persistent homology at four resolutions---complete networks,…
Sign in to learn & save →
The frontier is open to all. Sign in to learn this from first principles and save it to your knowledge base.