SimuRank

the scientific simulation, molecular modeling, and data analysis software directory

Tag: 3d materials simulation

Zeolites as building blocks in biofuel synthesis

biofuel synthesis

Biofuel synthesis aided by computer simulations? The research for novel materials in biofuel synthesis and process development could get a boost from computer based predictive materials modeling. A recent study published in the prestigious scientific journal Nature Communications reveals that using high-throughput screening and powerful high performance computers new materials can be identified for separation […]

GPU accelerated materials modeling

Beside their use for improving the graphic card on the common desktop computer, a few years ago graphics processing units (GPUs) were enabled by NVIDIA to be used as powerful computational units. This was possible by the development of the so-called compute unified device architecture (CUDA) parallel computing programming model and its implementation by the […]

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