NURBS based B-rep models for macromolecules and their properties
SMA '97 Proceedings of the fourth ACM symposium on Solid modeling and applications
Dynamic maintenance and visualization of molecular surfaces
Discrete Applied Mathematics - Special issue: Computational molecular biology series issue IV
Feature-based crystal construction in computer-aided nano-design
Computer-Aided Design
Parametric polynomial minimal surfaces of degree six with isothermal parameter
GMP'08 Proceedings of the 5th international conference on Advances in geometric modeling and processing
Multi-scale space-variant FRep cellular structures
Computer-Aided Design
Geometry guided crystal phase transition pathway search
Computer-Aided Design
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Current solid and surface modeling methods based on Euclidean geometry in traditional computer aided design are not efficient in constructing a large number of atoms and particles. In this paper, we propose a periodic surface model for computer aided nano design such that geometry of atoms and molecules can be constructed parametrically. At the molecular scale, periodicity of the model allows thousands of particles to be built efficiently. At the meso scale, inherent porosity of the model represents natural morphology of polymer and macromolecule. Surface and volume operations are defined to support crystal and molecular model creation with loci and foci periodic surfaces. The ultimate goal is to enable computer assisted material and system design at atomic, molecular, and meso scales.