Ensemble-space visualization improves perception of 3D state of molecular dynamics simulation
Proceedings of the 5th symposium on Applied perception in graphics and visualization
Implementation of a Non-bonded Interaction Calculation Algorithm for the Cell Architecture
PaCT '09 Proceedings of the 10th International Conference on Parallel Computing Technologies
A container-iterator parallel programming model
PPAM'07 Proceedings of the 7th international conference on Parallel processing and applied mathematics
Journal of Computational Physics
Direct Numerical Simulation of Particulate Flows on 294912 Processor Cores
Proceedings of the 2010 ACM/IEEE International Conference for High Performance Computing, Networking, Storage and Analysis
Exploiting fine-grained parallelism on cell processors
Euro-Par'10 Proceedings of the 16th international Euro-Par conference on Parallel processing: Part II
On well-separated sets and fast multipole methods
Applied Numerical Mathematics
Numerical methods for stochastic partial differential equations with multiple scales
Journal of Computational Physics
Efficient and validated simulation of crowds for an evacuation assistant
Computer Animation and Virtual Worlds
Runtime optimisation approaches for a real-time evacuation assistant
PPAM'11 Proceedings of the 9th international conference on Parallel Processing and Applied Mathematics - Volume Part I
Adaptive fast multipole methods on the GPU
The Journal of Supercomputing
Exponential integrators for stiff elastodynamic problems
ACM Transactions on Graphics (TOG)
A high order solver for the unbounded Poisson equation
Journal of Computational Physics
Exploiting hierarchy parallelism for molecular dynamics on a petascale heterogeneous system
Journal of Parallel and Distributed Computing
Parallel real time computation of large scale pedestrian evacuations
Advances in Engineering Software
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Particle models play an important role in many applications in physics, chemistry and biology. They can be studied on the computer with the help of molecular dynamics simulations. This book presents in detail both the necessary numerical methods and techniques (linked-cell method, SPME-method, tree codes, multipole technique) and the theoretical background and foundations. It illustrates the aspects modelling, discretization, algorithms and their parallel implementation with MPI on computer systems with distributed memory. Furthermore, detailed explanationsare given to the different steps of numerical simulation, and code examples are provided. With the description of the algorithms and the presentation of the results of various simulations from the areas material science, nanotechnology, biochemistry and astrophysics, the reader of this book will be able to write his own programs for molecular dynamics step by step and to run successful experiments.