Poster & flash communications/ Abstracts

you may present your poster: 3 slides / 3 minutes

(Abstracts listed thereafter in alphabetical order – first author)

june 29, 2019

Material properties of doped salt hydrates for thermochemical heat storage using ab-initio methods

Koen Heijmans, Ionut Tranca, Silvia Nedea, David Smeulders

DFT study of novel 3D C₆₀polymers

J. Laranjeiraa, L. Marquesa, N. Fortunatoa, M. Melle-Francob, K. Strutyńskib and M. Barrosoc

Tin-nitrogen binary phase diagram under pressure (0-200 GPa): Emergence of novel Sn_xN_ycompositions and polynitrogen nets

Rabii Larhlimi, Busheng Wang, Hubert Valencia, Gilles Frapper

DFT modeling of CO clathrate hydrates

Claire Petuya, Ludovic Martin-Gondre, Cyrielle Metais, Françoise Damay, Arnaud Desmedt

First principles study of surface states and energies of Mg2_Si surfaces

M. Ramesh, Manish K Niranjan

Theoretical investigation of pressure induced topological phase transition in TmSb

Payal Wadhwa, Shailesh Kumar, Alok Shukla, Rakesh Kumar

Infinite carbon chains sandwiched by copper monolayers: Cu2C, a novel 2D material

Busheng Wang, Gilles Frapper

Predicted two-dimensional silicon nitrides: SiN2_, Si3_N4_, and SiN

Heng Zhang, Junjie Wang, Frédéric Guégan, Artem R. Oganov, Gilles Frapper