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Computing
Software Developer@München & Computational Chemist @DCM-Uni-Paderborn
- München, Deutschland
- https://scholar.google.de/citations?user=Ns71dUkAAAAJ&hl=en
Pinned Loading
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Dipole-Polarisability
Dipole-Polarisability PublicThis program computes the molecular dipole moment and polarisability for ionic aqueous solutions.
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guide-to-good-software
guide-to-good-software PublicThis repository shows the various tools required to develop high-quality software.
Gnuplot 1
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EwaldSummation
EwaldSummation PublicEwald summation program for computing the long range Coulomb interactions in 3D Periodic systems
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Machine-learning
Machine-learning PublicHB strength predicted using supervised learning models (neural network, regression, nearest neighbour)
Jupyter Notebook
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StructureFactor
StructureFactor PublicA simple matlab code to compute the structure factor S(q) from pair correlation function g(r)
225 contributions in the last year
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