Coarse Graining MD with wavelets







With this project we will implement, validate and tailor two recent coarse-graining approaches. The first approach is a general method based on the orthogonal projection of the force field into a family of simpler potentials. The second approach uses multiresolution analysis (MRA) to create coarse-grained potentials from fine-scale potentials, which can be measured by MD simulations.

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IDSIA – Dalle Molle Institute for Artificial Intelligence Studies