Related papers: Efficient Mean-Field Simulation of Quantum Circuit…
We conducted quantum simulations of strongly correlated systems using the quantum flow (QFlow) approach, which enables sampling large sub-spaces of the Hilbert space through coupled eigenvalue problems in reduced dimensionality active…
The experimental implementation of selective quantum process tomography (SQPT) involves computing individual elements of the process matrix with the help of a special set of states called quantum 2-design states. However, the number of…
We benchmark the performances of Qrack, an open-source software library for the high-performance classical simulation of (gate-model) quantum computers. Qrack simulates, in the Schr\"odinger picture, the exact quantum state of $n$ qubits…
We show that the time evolution of the wave function of a quantum mechanical many particle system can be implemented very efficiently on a quantum computer. The computational cost of such a simulation is comparable to the cost of a…
The state vector-based simulation offers a convenient approach to developing and validating quantum algorithms with noise-free results. However, limited by the absence of cache-aware implementations and unpolished circuit optimizations, the…
The journey of theoretical study on semiconductors is reviewed in a non-conventional way. We have started with the basic introduction of Hartree-Fock method and introduce the fundamentals of Density Functional Theory (DFT). From the oldest…
Fault-tolerant quantum computing typically requires the transpilation of arbitrary quantum circuits into a finite, universal gate set, such as Clifford+T. As a baseline, Diagonal approximation can be used for synthesizing single-qubit Pauli…
We provide practical simulation methods for scalar field theories on a quantum computer that yield improved asymptotics as well as concrete gate estimates for the simulation and physical qubit estimates using the surface code. We achieve…
As quantum computers scale, single-chip architectures face inherent limitations in qubit count. It drives the need for modular quantum computing and Quantum Data Centers (QDCs), where multiple quantum processor units (QPUs) are…
The ground state electron density -- obtainable using Kohn-Sham Density Functional Theory (KS-DFT) simulations -- contains a wealth of material information, making its prediction via machine learning (ML) models attractive. However, the…
The computational power of real-world quantum computers is limited by errors. When using quantum computers to perform algorithms which cannot be efficiently simulated classically, it is important to quantify the accuracy with which the…
Over many years, computational simulations based on Density Functional Theory (DFT) have been used extensively to study many different materials at the atomic scale. However, its application is restricted by system size, leaving a number of…
A critical question for the field of quantum computing in the near future is whether quantum devices without error correction can perform a well-defined computational task beyond the capabilities of state-of-the-art classical computers,…
When designing quantum circuits for a given unitary, it can be much cheaper to achieve a good approximation on most inputs than on all inputs. In this work we formalize this idea, and propose that such "optimistic quantum circuits" are…
While the success of density functional theory (DFT) has led to its use in a wide variety of fields such as physics, chemistry, materials science and biochemistry, it has long been recognised that conventional methods are very inefficient…
Quantum noise in real-world devices poses a significant challenge in achieving practical quantum advantage, since accurately compiled and executed circuits are typically deep and highly susceptible to decoherence. To facilitate the…
Quantum computing has made substantial progress in recent years; however, its scalability remains constrained on a monolithic quantum processing unit (QPU). Distributed quantum computing (DQC) offers a pathway by coordinating multiple QPUs…
Hamiltonian simulation is one of the most important problems in quantum computation, and quantum singular value transformation (QSVT) is an efficient way to simulate a general class of Hamiltonians. However, the QSVT circuit typically…
Density functional theory (DFT), the most widely adopted method in modern computational chemistry, fails to describe accurately the electronic structure of strongly correlated systems. Here we show that DFT can be formally and practically…
We explore a new formalism to study the nonlinear electronic density response based on Kohn-Sham density functional theory (KS-DFT) at partially and strongly quantum degenerate regimes. It is demonstrated that the KS-DFT calculations are…