Related papers: Quantum Computing Without Wavefunctions: Time-Depe…
Modeling non-Hermitian Hamiltonians is increasingly important in classical and quantum domains, especially when studying open systems, $PT$ symmetry, and resonances. However, the quantum simulation of these models has been limited by the…
Density functional theory (DFT) is a fundamental method for simulating quantum chemical properties, but it remains expensive due to the iterative self-consistent field (SCF) process required to solve the Kohn-Sham equations. Recently, deep…
Ultra-fast electronic phenomena originating from finite temperature, such as nonlinear optical excitation, can be simulated with high fidelity via real-time time dependent density functional theory (rt-TDDFT) calculations with hybrid…
It is shown that if one can perform a restricted set of fast manipulations on a quantum system, one can implement a large class of dynamical evolutions by effectively removing or introducing selected Hamiltonians. The procedure can be used…
We describe how continuous-variable abelian anyons, created on the surface of a continuous-variable analogue of Kitaev's lattice model can be utilized for quantum computation. In particular, we derive protocols for the implementation of…
We developed a general framework for hybrid quantum-classical computing of molecular and periodic embedding approaches based on an orbital space separation of the fragment and environment degrees of freedom. We demonstrate its potential by…
Due to efficient scaling with electron number N, density functional theory (DFT) is widely used for studies of large molecules and solids. Restriction of an exact mean-field theory to local potential functions has recently been questioned.…
This paper extends work done to date on quantum computation by associating potentials with different types of computation steps. Quantum Turing machine Hamiltonians, generalized to include potentials, correspond to sums over tight binding…
We describe criteria for implementation of quantum computation in qudits. A qudit is a d-dimensional system whose Hilbert space is spanned by states |0>, |1>,... |d-1>. An important earlier work of Mathukrishnan and Stroud [1] describes how…
We formulate a time-dependent density-matrix functional theory (TDDMFT) approach for higher-order correlation effects like biexcitons in optical processes in solids based on the reduced two-particle density-matrix formalism within the…
A model of quantum computing is presented, based on properties of connections with a prescribed monodromy group on holomorphic vector bundles over bases with nontrivial topology. Such connections with required properties appear in the…
A general scheme to perform universal quantum computation within decoherence-free subspaces (DFSs) of a system's Hilbert space is presented. This scheme leads to the first fault-tolerant realization of universal quantum computation on DFSs…
The past few years have witnessed the concrete and fast spreading of quantum technologies for practical computation and simulation. In particular, quantum computing platforms based on either trapped ions or superconducting qubits have…
Operating quantum sensors and quantum computers would make data in the form of quantum states available for purely quantum processing, opening new avenues for studying physical processes and certifying quantum technologies. In this…
Quantum computers (QC) could harbor the potential to significantly advance materials simulations, particularly at the atomistic scale involving strongly correlated fermionic systems where an accurate description of quantum many-body effects…
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…
We report the quantum computing of reacting flows by simulating the Hamiltonian dynamics. The scalar transport equation for reacting flows is transformed into a Hamiltonian system, mapping the dissipative and non-Hermitian problem in…
Real-time time-dependent density functional theory (TDDFT) is widely considered to be the most accurate available method for calculating electronic stopping powers from first principles, but there have been relatively few assessments of the…
Quantum computation is one of the most promising new paradigms for the simulation of physical systems composed of electrons and atomic nuclei, with applications in chemistry, solid-state physics, materials science, and molecular biology.…
In spite of their evident logical character, particle statistics symmetries are not among the inherently quantum features exploited in quantum computation. A difficulty may be that, being a constant of motion of a unitary evolution, a…