121 citations · 174 across the 5 of their papers we have counts for
5 papers
Thermal conductivity of CaF at high pressure
Somayeh Faraji, S. Mehdi Vaez Allaei, Maximilian Amsler
We study the thermal transport properties of three CaF polymorphs up to a pressure of 30 GPa using first-principle calculations and an interatomic potential based on machine…
FLAME: a library of atomistic modeling environments
Maximilian Amsler, Samare Rostami, Hossein Tahmasbi +4
FLAME is a software package to perform a wide range of atomistic simulations for exploring the potential energy surfaces (PES) of complex condensed matter systems. The range of met…
A two-dimensional hexagonal sheet of TiO
Hossein Asnaashari Eivari, S. Alireza Ghasemi, Hossein Tahmasbi +5
We report on the ab initio discovery of a novel putative ground state for quasi two-dimensional TiO through a structural search using the minima hopping method with an artifici…
A fingerprint based metric for measuring similarities of crystalline structures
Li Zhu, Maximilian Amsler, Tobias Fuhrer +8
Measuring similarities/dissimilarities between atomic structures is important for the exploration of potential energy landscapes. However, the cell vectors together with the coordi…
Ab-initio study of the stability and electronic properties of wurtzite and zinc-blende BeS nanowires
Somayeh Faraji, Ali Mokhtari
In this work we study the structural stability and electronic properties of the Beryllium sulphide nanowires (NWs) in both zinc blende (ZB) and wurtzite (WZ) phases with triangle a…