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Surfaces are at the frontier of every known solid. They provide versatile supports for functional nanostructures and mediate essential physicochemical processes. Being intimately related with 2D materials, interfaces and atomically thin…
Quantum computing has shown great potential in various quantum chemical applications such as drug discovery, material design, and catalyst optimization. Although significant progress has been made in quantum simulation of simple molecules,…
Electronic coupling and hence hybridization of atoms serve as the basis for the rich properties of the endless library of naturally occurring molecules. Colloidal quantum dots (CQDs) manifesting quantum strong confinement, possess atomic…
Two-dimensional materials can be crafted with structural precision approaching the atomic scale, enabling quantum defects-by-design. These defects are frequently described as artificial atoms and are emerging optically-addressable spin…
Quantum computers promise to revolutionize our ability to simulate molecules, and cloud-based hardware is becoming increasingly accessible to a wide body of researchers. Algorithms such as Quantum Phase Estimation and the Variational…
Quantum corrals are two dimensional structures built atom by atom on an atomically clean metallic surface using a scanning tunneling microscope. These two dimensional structures ``corral'' electrons in the surface states of noble metals…
Artificial lattices created by assembling atoms on a surface with scanning tunneling microscopy present a platform to create matter with tailored electronic, magnetic and topological properties. However, such artificial lattices studies to…
We study numerically the dynamics of acetanilide (ACN) molecules placed on a flat surface of a multilayer hexagonal boron nitride structure. We demonstrate that the ACN molecules, being achiral in three dimensions, become chiral after being…
Advances in nanotechnology now allow the creation of artificial atoms - engineered structures whose electronic states closely mimic those of real atoms. Understanding how these artificial atoms interact and bond is key to designing new…
The collective interactions of nanoparticles arranged in periodic structures give rise to high-$Q$ in-plane diffractive modes known as surface lattice resonances. While these resonances and their broader implications have been extensively…
Conventional understanding implies that the ground state of a nonmagnetic quantum mechanical system should be nodeless. While this notion also provides a valuable guidance in understanding the ordering of energy levels in semiconductor…
We report elastic scattering theory for surface electron waves in quantum corrals defined by adatoms on the surface of noble metals. We develop a scattering-matrix technique that allows us to account for a realistic smooth potential profile…
Coupling of atoms is the basis of chemistry, yielding the beauty and richness of molecules. We utilize semiconductor nanocrystals as artificial atoms to form nanocrystal molecules that are structurally and electronically coupled. CdSe/CdS…
We present calculations for electronic and magnetic properties of surface states confined by a circular quantum corral built of magnetic adatoms (Fe) on a Cu(111) surface. We show the oscillations of charge and magnetization densities…
We consider the dynamics of Bose-Einstein condensates in a corral-like potential. Compared to the electronic quantum corrals, the atomic quantum corrals have the advantage of allowing direct and convenient observation of the wave dynamics.…
Semiconductor nanowires provide an ideal platform for various low-dimensional quantum devices. In particular, topological phases of matter hosting non-Abelian quasi-particles can emerge when a semiconductor nanowire with strong spin-orbit…
Development of quantum architectures during the last decade has inspired hybrid classical-quantum algorithms in physics and quantum chemistry that promise simulations of fermionic systems beyond the capability of modern classical computers,…
We study the quantum anomalous Hall states in the $p$-orbital bands of the honeycomb optical lattices loaded with the single component fermions. Such an effect has not been realized in both condensed matter and cold atom systems yet. By…
The realization of robust quantum anomalous Hall (QAH) phases at elevated temperatures remains a central challenge in condensed matter physics. While quadratic band crossing points (QBCP) provide a promising route towards QAH states,…
Modern quantum chemistry can make quantitative predictions on an immense array of chemical systems. However, the interpretation of those predictions is often complicated by the complex wave function expansions used. Here we show that an…