The concept of multiscale modelling has emerged over the last few decades to describe
procedures that seek to simulate continuum-scale behaviour using information gleaned from …

Over the last few years, coarse-grained molecular dynamics has emerged as a way to model
large and complex systems in an efficient and inexpensive manner due to its lowered …

The exceptional physical properties and unique layered structure of two-dimensional (2D)
materials have made this class of materials great candidates for applications in electronics …

Two-dimensional materials such as graphene and transition metal dichalcogenides have
been identified and drawn much attention over the last few years for their unique structural …

Monolayer two-dimensional (2D) crystals exhibit a host of intriguing properties, but the most
exciting applications may come from stacking them into multilayer structures. Interlayer and …

Understanding the interface between nanomaterials and lipoproteins is crucial for gaining
insights into their impact on lipoprotein structure and lipid metabolism. Here, we use …

Understanding the deformation mechanisms in multilayer graphene (MLG), an attractive
material used in nanodevices as well as in the reinforcement of nanocomposites, is critical …

The super-high strength of single-layer graphene has attracted great interest. In practice,
defects resulting from thermodynamics or introduced by fabrication, naturally or artificially …

Upon crumpling, graphene sheets yield intriguing hierarchical structures with high
resistance to compression and aggregation, garnering a great deal of attention in recent …