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physics.chem-ph2026
Nonclassical condensation pathways revealed by the multivariable theory of nucleation
Yijian Wu, Thomas Philippe
We extend classical nucleation theory (CNT) by explicitly incorporating the multidimensional nature of nucleation and the coupled roles of kinetics and thermodynamics. Specifically…
physics.chem-ph2025
The seeding method: A test case for classical nucleation theory in small systems
Thomas Philippe, Yijian Wu, Aymane Graini
Molecular dynamics simulations are widely used to investigate nucleation in first-order phase transitions. Brute-force simulations, though popular, are limited to conditions of hig…
physics.chem-ph2025★ 2 cited
Nonclassical Nucleation Pathways in Liquid Condensation Revealed by Simulation and Theory
Yijian Wu, Thomas Philippe, Aymane Graini +1
Using state-of-the-art rare-event sampling simulations, we precisely characterize the nucleation of liquid droplets from a supersaturated Lennard-Jones gas and uncover a key physic…