Differential topology, and specifically Morse theory, provide a suitable setting for formalizing
and solving several problems related to shape analysis. The fundamental idea behind …

In this report we review and structure the branch of molecular visualization that is concerned
with the visual analysis of cavities in macromolecular protein structures. First the necessary …

Interactions between atoms have a major influence on the chemical properties of molecular
systems. While covalent interactions impose the structural integrity of molecules …

Eighty years after its experimental discovery, a description of induced nuclear fission based
solely on the interactions between neutrons and protons and quantum many-body methods …

The introduction of robotic arms in additive manufacturing enables the scaling up of three-
dimensional (3D) printing processes and the realization of nonplanar path geometries. As a …

Large-scale molecular dynamics (MD) simulations are commonly used for simulating the
synthesis and ion diffusion of battery materials. A good battery anode material is determined …

Detecting and analysing protein cavities provides significant information about active sites
for biological processes (eg protein–protein or protein–ligand binding) in molecular graphics …

Salient edges are perceptually prominent features of a surface. Most previous extraction
schemes utilize the notion of ridges and valleys for their detection, thereby requiring …

Mesh segmentation has a variety of applications in product design, reverse engineering,
and rapid prototyping fields. This paper presents a novel algorithm of mesh segmentation …

Scientific datasets obtained by measurement or produced by computational simulations
must be analyzed to understand the phenomenon under study. The analysis typically …