Endomembrane damage represents a form of stress that is detrimental for eukaryotic cells,.
To cope with this threat, cells possess mechanisms that repair the damage and restore …

With the advent of faster computer processors and especially graphics processing units
(GPUs) over the last few decades, the use of data-intensive machine learning (ML) and …

Molecular simulations have provided valuable insight into the microscopic mechanisms
underlying homogeneous ice nucleation. While empirical models have been used …

Endogenous biomolecular condensates, composed of a multitude of proteins and RNAs,
can organize into multiphasic structures with compositionally distinct phases. This …

Colloidal crystal engineering of complex, low-symmetry architectures is challenging when
isotropic building blocks are assembled. Here we describe an approach to generating such …

Relating the macroscopic properties of protein-based materials to their underlying
component microstructure is an outstanding challenge. Here, we exploit computational …

The structure of neat melts of polymer-grafted nanoparticles (GNPs) is studied via coarse-
grained molecular dynamics simulations. We systematically vary the degree of …

Generating space-filling arrangements of most discrete polyhedra nanostructures of the
same shape is not possible. However, if the appropriate individual building blocks are …

Control and understanding of ensembles of skyrmions is important for realization of future
technologies. In particular, the order-disorder transition associated with the 2D lattice of …

Equilibrium sampling of the configuration space in disordered systems requires algorithms
that bypass the glassy slowing down of the physical dynamics. Irreversible Monte Carlo …