21 citations · 32 across the 3 of their papers we have counts for
4 papers
Unifying the description of hydrocarbons and hydrogenated carbon materials with a chemically reactive machine learning interatomic potential
Rina Ibragimova, Mikhail S. Kuklin, Tigany Zarrouk +1
We present a general-purpose machine learning (ML) interatomic potential for carbon and hydrogen which is capable of simulating various materials and molecules composed of these el…
Experiment-driven atomistic materials modeling: A case study combining X-ray photoelectron spectroscopy and machine learning potentials to infer the structure of oxygen-rich amorphous carbon
Tigany Zarrouk, Rina Ibragimova, Albert P. Bartók +1
An important yet challenging aspect of atomistic materials modeling is reconciling experimental and computational results. Conventional approaches involve generating numerous confi…
Fermiology of two-dimensional titanium carbide and nitride MXenes
Mohammad Bagheri, Rina Ibragimova, Hannu-Pekka Komsa
MXenes are a family two-dimensional transition metal carbide and nitride materials, which often exhibit very good metallic conductivity and are thus of great interest for applicati…
First principles study of stability of MXenes under electron beam
Rina Ibragimova, Zhong-Peng Lv, Hannu-Pekka Komsa
Interactions of two-dimensional MXene sheets and electron beam of (scanning) transmission electron microscope are studied via first-principles calculations. We simulated the knock-…