Integrated Modeling, Simulation, and Visualization for Nanomaterials

Table 1

Comparison with the existing systems.

Approaches	Domains	Modeling	Simulation	Visualization	Interactive editing
Ours	Common nanomaterials	Modeling based on adjacency list, support rapid macromolecule reconstruction	Calculation for surface energy items, integration of LAMMPS	Multimode visualization based on HOOPS	Adaptive model editing, maintaining physical meaning
Overvelde et al. [14]	Porous materials	Buckling in 2D periodic, soft and porous structures	Stress strain analysis	Simple visualization	—
Materials Studio [15]	Common nanomaterials	Structure modeling	Simple property calculation	Incompatibility problem	—
LAMMPS [16]	Molecular dynamics	Modeling macromolecule	Powerful computing capability	—	—
RasMol [17]	Nanomolecular model	Modeling macromolecule	—	Powerful and convenient display interface	—