Shivani Grover

Computational physicist | Theory and simulation of materials

[Shivani Grover @shivani9602]

@ZacconeAlessio @RoySocChem Thank you @ZacconeAlessio
We haven't looked into this in the present work but it will be interesting to do it. Thank you!

[Shivani Grover @shivani9602]

Hi everyone. Excited to share our work for #RSCPoster and #RSCEnergy on Tuning the mechanical properties of molecular perovskites. @rgraucrespo @RoySocChem

[Shivani Grover @shivani9602]

@HodgesCat @rgraucrespo @RoySocChem We try to provide mechanistic insights into the dependence of mechanical properties on the chemistry in molecular perovskites and further tailoring of these properties.

[Shivani Grover @shivani9602]

@HodgesCat @rgraucrespo @RoySocChem Thank you @HodgesCat
In the present work, we calculated the mechanical/vibrational properties of this molecular perovskite series, potential materials for barocaloric applications.

[Victor Posligua @victor_posligua]

My (and @JoanaBustamant1’s) contribution to the #RSCposter conference, about the closed edges of graphite ⌬ #RSCAdv. #compchem @rgraucrespo’s group. Hope you enjoy our poster!