1 citations · 2 across the 3 of their papers we have counts for
3 papers
cond-mat.mtrl-sci2025★ 1 cited
Molecular augmented dynamics: Generating experimentally consistent atomistic structures by design
Tigany Zarrouk, Miguel A. Caro
A fundamental objective of materials modeling is identifying atomic structures that align with experimental observables. Conventional approaches for disordered materials involve sa…
cond-mat.mtrl-sci2025★ 1 cited
Linear-scaling calculation of experimental observables for molecular augmented dynamics simulations
Tigany Zarrouk, Miguel A. Caro
Aligning theoretical atomistic structural models of materials with available experimental data presents a significant challenge for disordered systems. The configurational space to…
physics.chem-ph2024
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…