681 citations · 2.1k across the 20 of their papers we have counts for
20 papers
Bilayer Kagome Borophene with Multiple van Hove Singularities
Qian Gao, Qimin Yan, Zhenpeng Hu +1
The appearance of van Hove singularities near the Fermi level leads to prominent phenomena, including superconductivity, charge density wave, and ferromagnetism. Here a bilayer Kag…
Incorporation of density scaling constraint in density functional design via contrastive representation learning
Weiyi Gong, Tao Sun, Hexin Bai +7
In a data-driven paradigm, machine learning (ML) is the central component for developing accurate and universal exchange-correlation (XC) functionals in density functional theory (…
Controllable optical and magneto-optical properties of magnetic CrI3 nanoribbons
Hong Tang, Santosh Neupane, Qimin Yan +1
A monolayer of CrI3 has an amazing ferromagnetic ground-state. In this work, we calculate band structures and magnetic moments of tensile-strained and bent zigzag CrI3 nanoribbons…
Antisite defect qubits in monolayer transition metal dichalcogenides
Jeng-Yuan Tsai, Jinbo Pan, Hsin Lin +2
Being atomically thin and amenable to external controls, two-dimensional (2D) materials offer a new paradigm for the realization of patterned qubit fabrication and operation at roo…
Structure motif centric learning framework for inorganic crystalline systems
Huta R. Banjade, Sandro Hauri, Shanshan Zhang +4
Incorporation of physical principles in a network-based machine learning (ML) architecture is a fundamental step toward the continued development of artificial intelligence for mat…
Monolayer 2D semiconducting tellurides for high-mobility electronics
Huta R. Banjade, Jinbo Pan, Qimin Yan
Discovery and design of two-dimensional (2D) materials with suitable band gaps and high carrier mobility is of vital importance for photonics, optoelectronics, and high-speed elect…