329 citations · 567 across the 25 of their papers we have counts for
8 papers · 1 filter
Giant optical anisotropy and visible-frequency epsilon-near-zero in hyperbolic van der Waals MoOCl2
Georgy Ermolaev, Adilet Toksumakov, Aleksandr Slavich +13
The realization of extreme optical anisotropy is foundational to nanoscale light manipulation. Van der Waals (vdW) crystal MoOCl2 has emerged as a promising candidate for this ques…
Record Index-Bandgap Trade-off: CdPS3 as a High-Index van der Waals Platform for Ultraviolet-Visible Nanophotonics
M. R. Povolotskiy, A. S. Slavich, G. A. Ermolaev +21
The development of nanophotonics is hindered by a fundamental trade-off between a material's refractive index (n) and its electronic bandgap (Eg), which severely restricts the choi…
Giant optical anisotropy in CrSBr from giant exciton oscillator strength
Georgy Ermolaev, Tagir Mazitov, Arslan Mazitov +18
The interplay between dimensionality and electronic correlations in van der Waals (vdW) materials offers a powerful toolkit for engineering light-matter interactions at the nanosca…
A universal machine learning model for the electronic density of states
Wei Bin How, Pol Febrer, Sanggyu Chong +5
In the last few years several ``universal'' interatomic potentials have appeared, using machine-learning approaches to predict energy and forces of atomic configurations with arbit…
Metatensor and metatomic: foundational libraries for interoperable atomistic machine learning
Filippo Bigi, Joseph W. Abbott, Philip Loche +12
Incorporation of machine learning (ML) techniques into atomic-scale modeling has proven to be an extremely effective strategy to improve the accuracy and reduce the computational c…
Massive Atomic Diversity: a compact universal dataset for atomistic machine learning
Arslan Mazitov, Sofiia Chorna, Guillaume Fraux +4
The development of machine-learning models for atomic-scale simulations has benefited tremendously from the large databases of materials and molecular properties computed in the pa…
Giant exciton binding energy in bulk CrCl3
Georgy Ermolaev, Tagir Mazitov, Anton Minnekhanov +20
Van der Waals (vdW) materials, with their unique combination of electronic, optical, and magnetic properties, are emerging as promising platforms for exploring excitonic phenomena.…
PET-MAD, a lightweight universal interatomic potential for advanced materials modeling
Arslan Mazitov, Filippo Bigi, Matthias Kellner +6
Machine-learning interatomic potentials (MLIPs) have greatly extended the reach of atomic-scale simulations, offering the accuracy of first-principles calculations at a fraction of…