Research Details:
Nucleation, a pivotal step in phase transitions, governs the formation of crystals, impacting fields from pharmaceuticals to materials science.
Classical nucleation theory provides a foundational understanding, but its limitations necessitate exploring non-classical pathways.
Order parameters, quantifying structural arrangements, are crucial for identifying polymorphs’s distinct crystal structures of the same compound.
My research aims to unravel the complex interplay between nucleation and polymorph formation using LAMMPS simulations and machine learning analysis.
