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The Ziman formulation of electrical conductivity is tested in warm and hot dense matter using the pseudo-atom molecular dynamics method. Several implementation options that have been widely used in the literature are systematically tested…
The Kondo lattice mode, as one of the most fundamental models in condensed matter physics, has been employed to describe a wide range of quantum materials such as heavy fermions, transition metal dichalcogenides and two-dimensional Moire…
Recent experiments have revealed the tantalizing possibility of fabricating lattice electronic systems strongly coupled to quantum fluctuations of electromagnetic fields, e.g., by means of geometry confinement from a cavity or artificial…
Quantum computers have the potential to advance material design and drug discovery by performing costly electronic structure calculations. A critical aspect of this application requires optimizing the limited resources of the quantum…
Proposing new ways to organize carbon in 2D nanomaterials has been a relevant strategy in the search for systems with targeted properties for different applications. One focus is the study of fully sp$^2$ non-graphitic networks, with…
In quantum embedding theories, a quantum many-body system is divided into localized clusters of sites which are treated with an accurate `high-level' theory and glued together self-consistently by a less accurate `low-level' theory at the…
The electronic structure of pyrite-type cobalt phosphosulfide (CoSP) has been studied using density-functional theory. The calculated band structure reveals the non-magnetic semiconducting character of the compound. The electronic structure…
Synthesis of many-body quantum systems in the laboratory can help provide further insight into the emergent behavior of quantum materials, whose properties may provide improved methods for energy conversion, signal transport, or information…
We present an open-source computer program written in Python language for quantum measurement and related issues. In our program, quantum states and operators, including quantum gates, can be developed into a quantum-object function…
The Semiempirical Pseudopotential Method (SEPM) has emerged as a valuable tool for accurately determining band structures, especially in the realm of low-dimensional materials. SEPM operates by utilizing atomic pseudopotentials, which are…
While quantum computers are capable of simulating many quantum systems efficiently, the simulation algorithms must begin with the preparation of an appropriate initial state. We present a method for generating physically relevant quantum…
We propose that light-matter coupling can be used to realize synthetic lattices. In particular, we consider a one-dimensional chain of exciton-photon sites to create a comb lattice that exhibits a transition from a flat band to a finite…
We introduce a systematic method for constructing a class of lattice structures that we call ``partial line graphs''.In tight-binding models on partial line graphs, energy bands with flat energy dispersions emerge.This method can be applied…
The NTMpy code package allows for simulating the one-dimensional thermal response of multilayer samples after optical excitation, as in a typical pump-probe experiment. Several Python routines are combined and optimized to solve coupled…
Artificial electronic lattices, created atom by atom in a scanning tunneling microscope, have emerged as a highly tunable platform to realize and characterize the lowest-energy bands of novel lattice geometries. Here, we show that…
Certain lattices with specific geometries have one or more spectral bands that are strictly flat, i.e. the electron energy is independent of the momentum. This can occur robustly irrespective of the specific couplings between the lattices…
The high-performance computing (HPC) community has recently seen a substantial diversification of hardware platforms and their associated programming models. From traditional multicore processors to highly specialized accelerators, vendors…
Physical neural networks typically train linear synaptic weights while treating device nonlinearities as fixed. We show the opposite - by training the synaptic nonlinearity itself, as in Kolmogorov-Arnold Network (KAN) architectures, we…
Quantum computing promises the possibility of studying the real-time dynamics of nonperturbative quantum field theories while avoiding the sign problem that obstructs conventional lattice approaches. Current and near-future quantum devices…
Waveguide lattices offer a compact and stable platform for a range of applications, including quantum walks, topological effects, condensed matter system simulation, and classical and quantum information processing. In such lattices, the…