Preserving the correct dynamics at the coarse-grained (CG) level is a pressing problem in
the development of systematic CG models in soft matter simulation. Starting from the seminal …

The generalized Langevin equation is a model for the motion of coarse-grained particles
where dissipative forces are represented by a memory term. The numerical realization of …

Electricity plays a special role in our lives and life. The dynamics of electrons allow light to
flow through a vacuum. The equations of electron dynamics are nearly exact and apply from …

Ions in channels have been imagined as hard balls in a macroscopic mechanical model, for
a very long time. Hard balls interact by collisions in such models, randomly knocking each …

Brownian dynamics of Dirac fermions in twisted bilayer graphene is investigated within the
framework of semiclassical relativistic Langevin equations. We find that under the influence …

Macroscopic properties of structural materials are strongly dependent on their
microstructure. However, the modeling of their evolution is a complex task because of the …

Titanium and its alloys undergo temperature-driven martensitic phase transformation
leading to the development of complex microstructures at mesoscale. Optimizing the …

Cells create physical connections with the extracellular environment through adhesions.
Nascent adhesions form at the leading edge of migrating cells and either undergo cycles of …

This dissertation presents a comprehensive study on the dynamics of magnetic nanoparticle
systems using Langevin dynamics simulations. Nanoparticles, particularly magnetic ones …

While computational power has been steadily increasing throughout the recent decades,
computational modeling in terms of atomistic molecular dynamics simulations is still limited …