A fast algorithm for particle simulations
Journal of Computational Physics
Computer simulation of liquids
Computer simulation of liquids
Fast parallel algorithms for short-range molecular dynamics
Journal of Computational Physics
Dynamic Partitioning of Non-Uniform Structured Workloads with Spacefilling Curves
IEEE Transactions on Parallel and Distributed Systems
Communications of the ACM
A Family of Symplectic Integrators: Stability, Accuracy, and Molecular Dynamics Applications
SIAM Journal on Scientific Computing
An algorithm for two-dimensional rigidity percolation: the pebble game
Journal of Computational Physics
The grid: blueprint for a new computing infrastructure
The grid: blueprint for a new computing infrastructure
Spanning the length scales in dynamic simulation
Computers in Physics
Recent advances in large-scale atomistic materials simulations
Computing in Science and Engineering
The Art of Molecular Dynamics Simulation
The Art of Molecular Dynamics Simulation
Portrait of a Crack: Rapid Fracture Mechanics Using Parallel Molecular Dynamics
IEEE Computational Science & Engineering
Guest Editor's Introduction: Massive Data Visualization
Computing in Science and Engineering
A Rigid-Body-Based Multiple Time Scale Molecular Dynamics Simulation of Nanophase Materials
International Journal of High Performance Computing Applications
Scalable atomistic simulation algorithms for materials research
Proceedings of the 2001 ACM/IEEE conference on Supercomputing
Multiscale Simulation of Nanosystems
Computing in Science and Engineering
De Novo Ultrascale Atomistic Simulations On High-End Parallel Supercomputers
International Journal of High Performance Computing Applications
Hardware-accelerated glyphs for mono- and dipoles in molecular dynamics visualization
EUROVIS'05 Proceedings of the Seventh Joint Eurographics / IEEE VGTC conference on Visualization
Coherent culling and shading for large molecular dynamics visualization
EuroVis'10 Proceedings of the 12th Eurographics / IEEE - VGTC conference on Visualization
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In recent years, we have witnessed rapid progress in large-scale molecular-dynamics simulations involving 10-100 million atoms. This progress has been led by highly efficient algorithms for massively parallel computers, immersive and interactive virtual environments for analyzing and steering simulations in real time, and data compression and mining schemes for input/output and knowledge discovery. As a result of these advances, dynamic fracture of materials with realistic microstructures can now be modeled atom-by-atom.