相关论文: Near-frustration-free electronic structure Hamilto…
We present a suite of "holographic" quantum algorithms for efficient ground-state preparation and dynamical evolution of correlated spin-systems, which require far-fewer qubits than the number of spins being simulated. The algorithms…
The direct variational optimization of the two-electron reduced density matrix (2RDM) can provide a reference-independent description of the electronic structure of many-electron systems that naturally captures strong or nondynamic…
The implementation of the orbital minimization method (OMM) for solving the self-consistent Kohn-Sham (KS) problem for electronic structure calculations in a basis of non-orthogonal numerical atomic orbitals of finite-range is reported. We…
Quantum computing is a promising technology that harnesses the peculiarities of quantum mechanics to deliver computational speedups for some problems that are intractable to solve on a classical computer. Current generation noisy…
We introduce a high-performance linear-scaling electronic structure method that employs chromatic superposition states (CSS) as a low-dimensional, high-fidelity representation, which can be orders of magnitude smaller than the full Hilbert…
The product formula, commonly known as Trotter decomposition, is a central tool for digital quantum simulation, whose performance depends critically on how the Hamiltonian is partitioned into tractable blocks. Standard decompositions…
Given a set of Kohn-Sham orbitals from an insulating system, we present a simple, robust, efficient and highly parallelizable method to construct a set of, optionally orthogonal, localized basis functions for the associated subspace. Our…
The implementation difficulties of combining distribution matching (DM) and dematching (invDM) for probabilistic shaping (PS) with soft-decision forward error correction (FEC) coding can be relaxed by reverse concatenation, for which the…
The exponential computational cost of describing strongly correlated electrons can be mitigated by adopting a reduced density-matrix (RDM)-based description of the electronic structure. While variational two-electron RDM (v2RDM) methods can…
A broad spectrum of physical systems in condensed-matter and high-energy physics, vibrational spectroscopy, and circuit and cavity QED necessitates the incorporation of bosonic degrees of freedom, such as phonons, photons, and gluons, into…
The reduced-density-matrix method is an promising candidate for the next generation electronic structure calculation method; it is equivalent to solve the Schr\"odinger equation for the ground state. The number of variables is the same as a…
Harnessing the full power of nascent quantum processors requires the efficient management of a limited number of quantum bits with finite lifetime. Hybrid algorithms leveraging classical resources have demonstrated promising initial results…
Determining properties of ground states of spin Hamiltonians remains a topic of central relevance connecting disciplines of mathematical, theoretical and applied physics. In the last few decades, ground state properties of physical systems…
Chvatal-Gomory (CG) cuts and the Bienstock-Zuckerberg hierarchy capture useful linear programs that the standard bounded degree Lasserre/Sum-of-Squares SOS hierarchy fails to capture. In this paper we present a novel polynomial time SOS…
The level spacing distributions in the Gaussian Unitary Ensemble, both in the ``bulk of the spectrum,'' given by the Fredholm determinant of the operator with the sine kernel ${\sin \pi(x-y) \over \pi(x-y)}$ and on the ``edge of the…
We present sum-of-squares spectral amplification (SOSSA), a framework for improving quantum simulation relevant to low-energy problems. We show how SOSSA can be applied to problems like energy and phase estimation and provide fast quantum…
We show that the physics of the SU($N$) Hubbard model can be realistically simulated with the recently developed orbital Hatsugai-Kohmoto model. In this approach, the momentum mixing absent from the band Hatsugai-Kohmoto model is included…
We introduce an efficient algorithm for the systematic design of shallow-depth quantum circuits capable of preparing many-body quantum states represented as Matrix Product States (MPS). The proposed method leverages Schmidt spectrum…
Using group theoretical and numerical methods we have calculated the exact energy spectrum of the two-dimensional Hubbard model on square lattices with four electrons for a wide range of the interaction strength. All known symmetries, i.e.\…
We present a high-accuracy procedure for electronic structure calculations of strongly correlated materials. To address limitations in current electronic structure methods, we employ density functional theory in combination with the…