462 citations · 1.8k across the 22 of their papers we have counts for
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The intrinsic ferromagnetism of two-dimensional (2D) MnO revisited: A many-body Quantum Monte Carlo and DFT+U study
Daniel Wines, Kayahan Saritas, Can Ataca
Monolayer MnO is one of the few predicted two-dimensional (2D) ferromagnets that has been experimentally synthesized and is commercially available. The Mermin-Wagner theorem st…
Stability of adsorption of Mg and Na on sulfur-functionalized MXenes
G. Chaney, D. Çakır, F. M. Peeters +1
Two-dimensional materials composed of transition metal carbides and nitrides (MXenes) are poised to revolutionize energy conversion and storage. In this work, we used density funct…
Comprehensive Study of Lithium Adsorptionand Diffusion on Janus Mo/WXY (X, Y= S,Se, Te) using First Principles and MachineLearning Approaches
Gracie Chaney, Akram Ibrahim, Fatih Ersan +2
The structural asymmetry of two-dimensional (2D) Janus transition metal dichalcogenides (TMDs) produces internal dipole moments that result in interesting electronic properties. Th…
A pathway towards high throughput Quantum Monte Carlo simulations for alloys: A case study of two-dimensional (2D)
Daniel Wines, Kayahan Saritas, Can Ataca
The study of alloys using computational methods has been a difficult task due to the usually unknown stoichiometry and local atomic ordering of the different structures experimenta…