Skip to content

@pkmtum Professorship of Data-driven Materials Modeling

Change the repository type filter

All

    Repositories list

    20 repositories

    • Weak-Neural-Variational-Inference

      Public
      Python
      •
      MIT License
      •0•0•0•0•Updated Nov 8, 2024Nov 8, 2024

    • PANIS

      Public
      Python
      •
      MIT License
      •0•0•0•0•Updated Oct 23, 2024Oct 23, 2024

    • Molecular_Generative_Modeling

      Public
      The goal of inverse molecular design is the discovery of novel molecular structures that fulfill a set of target properties. In this project we explore the application of generative models and molecular graph representations for the development of solutions to the inverse molecular design problem.
      Jupyter Notebook
      •1•1•0•0•Updated Jul 3, 2024Jul 3, 2024

    • Semi-supervised_Invertible_Neural_Operators

      Public
      Semi-supervised Invertible Neural Operators for Bayesian Inverse Problems
      Jupyter Notebook
      •
      MIT License
      •1•13•0•0•Updated May 27, 2024May 27, 2024

    • PI_TBNN

      Public
      Physics-Informed Tensor Basis Neural Network for Turbulence Closure Modeling. Will be updated upon publication.
      C++
      •0•1•1•0•Updated May 22, 2024May 22, 2024

    • D3C-UQ

      Public
      MIT License
      •0•1•0•0•Updated May 22, 2024May 22, 2024

    • Semi-supervided_design_microstrctures

      Public
      Python
      •0•0•0•0•Updated Jun 19, 2023Jun 19, 2023

    • Embedded_Physics_MD

      Public
      Embedded-physics machine learning for coarse-graining and collective variable discovery without data
      Python
      •0•0•0•0•Updated Dec 8, 2022Dec 8, 2022

    • cnn-microstructures

      Public
      Code of Bachelor Thesis: Creating CNNs and evaluating predictions of microstructure properties for different parameters
      Jupyter Notebook
      •0•0•0•0•Updated Sep 7, 2022Sep 7, 2022

    • PDE-coarse-grain

      Public
      A physics-aware, probabilistic machine learning framework for coarse-graining high-dimensional systems in the Small Data regime
      MATLAB
      •0•0•0•0•Updated May 20, 2022May 20, 2022

    • ModelCalibration

      Public
      Development of general interfaces to make model calibration tasks transparent
      Python
      •
      MIT License
      •9•0•0•0•Updated May 11, 2022May 11, 2022

    • probeye

      Public
      A general framework for setting up parameter estimation problems.
      Python
      •
      MIT License
      •6•0•0•0•Updated May 10, 2022May 10, 2022

    • process-parameter-performance

      Public
      Jupyter Notebook
      •1•0•0•0•Updated May 4, 2022May 4, 2022

    • Physics-enhanced_NN_SmallData

      Public
      Physics-enhanced Neural Networks in the Small Data Regime
      Python
      •
      MIT License
      •0•4•0•0•Updated Nov 1, 2021Nov 1, 2021

    • Physics-aware_MOR

      Public
      Physics-aware, probabilistic model order reduction with guaranteed stability
      Jupyter Notebook
      •
      MIT License
      •0•1•0•0•Updated Apr 29, 2021Apr 29, 2021

    • predictive-cvs

      Public
      Predictive collective variable discovery with deep Bayesian models for atomistic systems.
      molecular-dynamicsgenerative-modelcoarse-grained-molecular-dynamicsuncertainty-quantificationvariational-autoencodercollective-variables
      Python
      •
      MIT License
      •1•2•0•0•Updated Oct 23, 2020Oct 23, 2020

    • generative-physics-informed-pde

      Public
      Generative model employing semi-supervised learning and physical constraints for learning a PDE surrogate.
      Python
      •
      MIT License
      •0•9•0•0•Updated Oct 2, 2020Oct 2, 2020

    • Probabilistic_Koopman_Learning

      Public
      Residual Enhanced Probabilistic Koopman-based Representation Learning
      Python
      •
      MIT License
      •1•2•0•0•Updated Sep 25, 2020Sep 25, 2020

    • NeuralODE_PhysicalProblems_Tensorflow

      Public
      Python
      •0•1•0•0•Updated Sep 14, 2020Sep 14, 2020

    • IncorporatingPhysicalConstraints

      Public
      Incorporating physical constraints in a deep probabilistic machine learning framework for coarse-graining dynamical systems
      Jupyter Notebook
      •
      MIT License
      •0•2•0•0•Updated Jul 29, 2020Jul 29, 2020