30 citations · 63 across the 4 of their papers we have counts for
4 papers
Controlling crystallization: What liquid structure and dynamics reveal about crystal nucleation mechanisms
Jutta Rogal, Grisell Díaz Leines
Over recent years, molecular simulations have provided invaluable insights into the microscopic processes governing the initial stages of crystal nucleation and growth. A key aspec…
Practical guide to replica exchange transition interface sampling and forward flux sampling
Steven W. Hall, Grisell Díaz Leines, Sapna Sarupria +1
Path sampling approaches have become invaluable tools to explore the mechanisms and dynamics of so-called rare events that are characterized by transitions between metastable state…
Interplay of structural and dynamical heterogeneity in the nucleation mechanism in Ni
Grisell Díaz Leines, Angelos Michaelides, Jutta Rogal
Gaining fundamental understanding of crystal nucleation processes in metal alloys is crucial for the development and design of high-performance materials with targeted properties.…
Template induced precursor formation in heterogeneous nucleation -- Controlling polymorph selection and nucleation efficiency
Grisell Díaz Leines, Jutta Rogal
We present an atomistic study of heterogeneous nucleation in Ni employing transition path sampling, which reveals a template precursor-mediated mechanism of crystallization. Most n…