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Web-based Metaprogrammable Frontend for Molecular Dynamics Simulations
english
2013
Proceedings of the 3rd International Conference on Simulation and Modeling Methodologies, Technologies and Applications
english
Molecular dynamics simulators are indispensable tools in the arsenal of chemical engineers and material scientists. However, they are often difficult to use and require programming skills as well as deep knowledge of both the given scientific domain and the simulation software itself. In this paper, we describe a metaprogramming approach where simulator experts can create a library of simulation components and templates of frequently used simulations. Domain experts, in turn, can build and
doi:10.5220/0004486401710178
dblp:conf/simultech/VargaTISVLKC13
fatcat:vwuqs3hhezhcrbavkrmwtgopom