Toward Dynamic Crystal Structure Prediction: Integrating Thermodynamic and Kinetic Modeling
Published in CrystEngComm, 2026
This paper explores how crystal structure prediction can be improved by accounting for kinetic pathways in addition to thermodynamic stability.
The goal is a more realistic description of how crystalline phases emerge under dynamic experimental conditions.
Recommended citation: Prem K. Reddy, Anish V. Dighe, Rajan R. Bhawnani, and Meenesh R. Singh. (2026). "Toward Dynamic Crystal Structure Prediction: Integrating Thermodynamic and Kinetic Modeling." CrystEngComm 28(11): 1727-1751.