This article describes the recent re-design of the code and the new features and improvements in performance of PAOFLOW, a software tool that constructs tight-binding Hamiltonians from self-consistent electronic wavefunctions by projecting onto a set of atomic orbitals.

Data management plan for the grant, "Collaborative Research: A Systematic and Comprehensive Study of Black Hole-Driven Turbulence in Massive Galactic Systems." This research team has developed a technique to measure gas turbulence in systems hosting giant central black holes and will directly evaluate the viability of this mechanism using a large sample of galaxies. This project will deliver a more complete view of the “feedback” provided by accreting SMBHs, leading to a better understanding of the black hole-host galaxy relation. More specifically, it will directly probe the energetics of the intra-cluster, circum-galactic, and interstellar media of massive early-type galaxies.

Data management plan for the grant, "Encapsulated perovskite in NiO nanotube for topological meta-photonic devices." Research studying meta-photonic devices with high absorption and topological photonic devices using encapsulated perovskites in NiO nanotubes. The goal is to achieve high-efficiency solar cells and electrically pumped laser in perovskite/NiO nanotubes patterned in the graded photonic super-crystal. The success of this project will lead to high-efficiency integrated lasers and solar cell devices. It also enhances the abilities in the education arena by enriching program offerings in nanotechnology, clean-energy, and photonics technology.

Article using simulations and experimental measurements to design, build, and test a compact and uniform magnetic field source and then apply it to the optical pumping of atomic helium.

Article studying 2D twisted moiré photonic crystals without physical rotation and simulating their photonic band gaps in photonic crystals formed at different twisted angles, different gradient levels, and different dielectric filling factors.

This article simulates Antihydrogen formation involving magnetobound positronium by computing classical trajectories.