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This is a multi-processing chemical code written in modern fortran and parallelized with MPI. MPChem aims to offer high performance for large parameter studies and post-processing of fluid elements with time dependent physical conditions.
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Turbulence Tools: Lagrangian and Eulerian
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This repository contains the tutorials for the NOMAD analytics toolkit
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Analyzing result of queries II: "image gallery" browser for quantities. If scalar, a scatter plot (not really an image gallery), if more complex (e.g., band structure + DOS), think to nice visualization for comparisons and browsing.
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This is a tutorial for RADMC-3D radiative transfer code. The aim of the tutorial is to create dust and line emission models of a T Tauri star.
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Example of machine learning for Hirshfeld ratios.
Attached to book chapter in Handbook of Materials Modeling
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This is a fork of the ALCHEMIC astrochemical modelling code (Semenov et al. 2010). The code is adapted to model the chemical evolution of SPH trajectories from hydrodynamic molecular cloud simulations, using complex chemical networks.
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Interspecific collaboration: stereo calibration and 3D Habitat reconstruction/Tracking
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