24 citations · 30 across the 6 of their papers we have counts for
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cond-mat.mtrl-sci2025★ 2 cited
Machine Learning Interatomic Potentials Enable Molecular Dynamics Simulations of Doped MoS2
Abrar Faiyad, Ashlie Martini
Dopants can tune the performance of MoS2 in various applications, but use of molecular dynamics simulations for doped MoS2 materials discovery is limited by the lack of multi-dopan…
physics.chem-ph2025★ 4 cited
Deriving effective electrode-ion interactions from free-energy profiles at electrochemical interfaces
Fabrice Roncoroni, Abrar Faiyad, Yichen Li +3
Understanding ion adsorption at electrified metal-electrolyte interfaces is essential for accurate modeling of electrochemical systems. Here, we systematically investigate the free…