Toward dynamic crystal structure prediction: integrating thermodynamic and kinetic modeling

CrystEngComm 2026 Open access

Read full text
Authors: Prem K. R. Podupu, Anish V. Dighe, Rajan R. Bhawnani, Meenesh R. Singh
DOI: 10.1039/d5ce00977d
Cited by: 0
References: 187

Abstract

This article reviews the transition from static crystal structure prediction (CSP) to dynamic multiscale frameworks that delineate self-assembly, nucleation, and growth. A unified strategy for the prediction of polymorphs and morphology is outlined.

Fields of Study & Subjects

Crystallization and Solubility Studies Calcium Carbonate Crystallization and Inhibition Machine Learning in Materials Science

Publication details

Journal / source
CrystEngComm
Volume
28
Issue
11
Pages
1727–1751
Publication date
1 January 2026
Language
EN