Materials for Energy Storage and Conversion (MESC) - Materials Square

Materials for Energy Storage and Conversion (MESC)

Posted In Modeling
  • Vasu Shanmugam 4 years ago

    Hi to everyone ,it my pleasure to be here toconnect the like thinking minds on this platform.

    if anyone are doing modelling energy storage materials for a good techincal disscussion for the uplift the materials performance to next stage.i will be happy to disscuss and collaberate.


  • Vasu Shanmugam 4 years ago

    I would like to do materials modelling for Lithium ion battery electrode materials aswell as electrode and electrolyte interface,to understand more details to overcome the shortage of electrochemical performance. 

  • Solayinkaa 4 years ago

    I am interested in modeling energy storage materials because that is a major set back to renewable energy system in Africa due to cost. 

  • Atsue 4 years ago

    I am trying to model a crystal with mixed atoms (eg As(x)Sb(1-x)). Quantum esprosso provides virtual crystal approximation code (virtual.x or virtual_v2.x) that enables one to combine two pseudopotentials as a single potential. However, this virtual atom needs to be created in a crystal structure (for quantum espresso input file) so as to recognize the combined pseudopotential. This has been a challenge to me and I believe having with me experts in this forum, I will have guidlines on how to go about this. Useful discussion about this will be greatly appreciated. Thank you all.

  • Kwang-Ryeol Lee 4 years ago

    Vasu Shanmugam,


    Please visit The platform provides all simulation tools you need. 

  • Vasu Shanmugam 4 years ago

    Thanks to all for here to have disscusion and colloberate to solvethe problems in energy storage materials 

  • Santosh Behara 3 years ago

    I am happy to find this group. Will be waiting for the fruitfull discussions.

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