This is the website of the junior group "Computational Materials Design" at the Federal Intitute for Materials Research and Testing in Germany (CMD@BAM), which is also associated with the FSU Jena, headed by Dr. Janine George. 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.

News

• 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.