This is the website of the junior group "Computational Materials Design" at the Federal Institute for Materials Research and Testing in Germany (CMD@BAM) headed by Janine George. Janine is also a Professor for Materials Informatics at FSU Jena. On this website, you will find information on our research, the group and Janine. Our current research focuses on data analysis and high-throughput computing for materials discovery. We are also experts in electronic structure computations, computational bonding analysis and phonon computations.

If you are interested in doing a Bachelor or Master thesis, a research stay, or a postdoc in our group, you can contact us via mail.

News

• Jun 5, 2023

  Advanced Tutorial for Automating Tasks in Computational Materials Science with Jobflow:

  Janine wrote a tutorial for Jobflow Full blog entry.

  
  
  
• May 2, 2023

  A Quantum-Chemical Bonding Database for Solid-State Materials:

  Our group released a quantum-chemical bonding database for reuse. Full blog entry.

  
  
  
• Jun 2, 2022

  Talk in the Materials Project Seminar Series:

  Janine gave a seminar in the Materials Project Seminar Series. Full blog entry.

  
  
  
• Dec 16, 2021

  First LobsterPy Release:

  We released the first version of LobsterPy for automatic analysis of Lobster outputs. Full blog entry.

  
  
  
• Dec 16, 2021

  Lobster workflow in atomate:

  Aakash has updated the tutorial on Lobster workflows for atomate.. Full blog entry.

  
  
  
• Jul 20, 2021

  Falling Walls:

  Janine is a finalist for Falling Walls "Breakthrough of the year" in the category "Physical Sciences". Full blog entry.

  
  
  
• Jan 13, 2021

  Nachrichten aus der Chemie:

  Janine has written several articles for "Nachrichten aus der Chemie" in German. Full blog entry.

  
  
  
• Jul 24, 2020

  Women.code(be) Interview:

  Janine was interviewed by the women.code(be) community. Full blog entry.

  
  
  
• Jul 22, 2020

  VCT2020 Conference:

  I am taking part in the VCT2020 Conference with a Poster. Full blog entry.

  
  
  
• Mar 3, 2020

  RSCPoster conference:

  Janine is taking part in the RSCPoster Conference on Twitter. Full blog entry.

  
  
  
• Feb 24, 2020

  The limited predictive power of the Pauling Rules:

  We have assessed the predictive power of the Pauling Rules. Full blog entry.

  
  
  
• Jul 13, 2019

  Semiconductor Spintronics:

  New publication on the high-throughput discovery of In2Mn2O7 as a high Curie temperature ferromagnetic semiconductor for spintronics. The article and all graphs are licensed under a Creative Commons Attribution 4.0 International License. See http://creativecommons.org/licenses/by/4.0/ for more information. Full blog entry.

  
  
  
• Mar 31, 2019

  SciComm via Twitter:

  Janine communicated her research via @RealSci_DE. Full blog entry.

  
  
  
• Jan 13, 2019

  Tutorial on how to plot/evaluate output files from Lobster online:

  This tutorial explains how one can plot or evaluate output files from Lobster with the help of the pymatgen library. Full blog entry.

  
  
  
• May 21, 2018

  First full structural characterization of chloro formamidinium salts:

  Syntheses, vibrational properties and solid-state structures of four chloro formamidinium compounds are presented. Full blog entry.

  
  
  
• Mar 1, 2018

  ChemEnv Tutorial online:

  Tutorial to analyze coordination polyhedra with the ChemEnv package is online. Full blog entry.

  
  
  
• Dec 14, 2017

  Dissertation published online:

  Janine's German dissertation is now available online. Full blog entry.