This page captures information about our support of Prof. Andre Schleife's faculty fellowship.


Title: Computational Infrastructure for Collaborative Design of Semiconductor Nanocrystals


PI: Professor Andre Schleife, PhD (MatSE)

Co-PIs: Michal Ondrejcek, PhD (NCSA)

In short, the fellowship is exploring the development of the data science infrastructure that will enable a new computational/experimental approach to semiconductor nanocrystal (SNC) design.



  • Final Presentation by Andre


  • test data created without students knowing the details, run through the system and avaluate the most sensitive parameter
  • script with MDF pipeline


  • ask Ben for the closed space on Petrel
  • check GitHub repository and documentation
  • ask NCSA for hosting the VM on Nebula


  • TBD


  • progress in web dashboard
  • Neural network and Random forest outputs discussed
  • MDF as an storage output, API, space etc.


  • Engineering Open House (EOH) presentations, viewing of  molecules
  • 3d goggles

3/2/2018 4pm

  • getting ready for EOH, 3d goggles with molecules

2/16/2018 4pm

  • Matlab (Igor) code for Gaussian curves

2/2/2018 4pm

  • 'dummy' Gaussian fitting predictions using Neural Network
  • front end discussed
  • Engineering Open House app for visualizing molecules

12/13/2017 3:30pm

  • Argonne visit with Andre Schleife (presentation)

12/8/2017 3:30pm

  • Gaussian fitting predictions using Random Forest discussed
  • front end
  • GitHub repository

12/1/2017 3:00pm

  • look at the metadata (JSON) of experimental curves

11/17/2017 3:00pm

  • Friday meeting

11/10/2017 3:00pm

  • Friday meeting

11/7/2017 3:00pm

  • Attended Faculty Fellows reception at NCSA

10/11/2017 3:00pm

  • introductory meeting with Andre Schleife in MatSE


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