Crystallization abounds in nature and industrial practice. A plethora of indispensable
products ranging from agrochemicals and pharmaceuticals to battery materials are …

During industrial processing, such as film blowing and injection molding, semicrystalline
polymers have to be subjected to external flow. Flow changes the nucleation rate, crystal …

The formation of crystals has proven to be one of the most challenging phase
transformations to quantitatively model—let alone to actually understand—be it by means of …

The fast increase in available computation power allowed us to decrease the cooling rate in
molecular dynamics (MD) simulation of vitrification by several orders of magnitude. While the …

The liquid-to-solid phase transition is a complex process that is difficult to investigate
experimentally with sufficient spatial and temporal resolution. A key aspect of the transition is …

Molecular dynamics (MD) simulations are employed to study biaxial stretch-induced
crystallization of polymers, during which the individual roles of chain conformation and …

Lithium (Li) metal is deemed to be the high-energy-density anode material for next
generation batteries, but its practical application is impeded by the uneven electrodeposition …

The seeding method is an approximate approach to investigate nucleation that combines
molecular dynamics simulations with classical nucleation theory. Recently, this technique …

In this work, we introduce variational umbrella seeding, a novel technique for computing
nucleation barriers. This new method, a refinement of the original seeding approach, is far …

Advancements in computational techniques have transformed glaucoma research, providing
a deeper understanding of genetics, disease mechanisms, and potential therapeutic targets …