Related papers: Entanglement-minimized orbitals enable faster quan…
Molecule-optimized basis sets, based on approximate natural orbitals, are developed for accelerating the convergence of quantum calculations with strongly correlated (multi-referenced) electrons. We use a low-cost approximate solution of…
Entanglement is the crucial ingredient of quantum many-body physics, and characterizing and quantifying entanglement in closed system dynamics of quantum simulators is an outstanding challenge in today's era of intermediate scale quantum…
We show that optimal control of the electron dynamics is able to prepare molecular ground states, within chemical accuracy, with evolution times approaching the bounds imposed by quantum mechanics. We propose a specific parameterization of…
We propose a hybrid quantum-classical algorithm for solving QUBO problems using an Imaginary Time Evolution-Mimicking Circuit (ITEMC). The circuit parameters are optimized to closely mimic imaginary time evolution, using only single- and…
The electronic structure problem is one of the main problems in modern theoretical chemistry. While there are many already-established methods both for the problem itself and its applications like semi-classical or quantum dynamics, it…
Understanding the properties of excited states of complex molecules is crucial for many chemical and physical processes. Calculating these properties is often significantly more resource-intensive than calculating their ground state…
Quantum-chemical multi-configurational methods are required for a proper description of static electron correlation, a phenomenon inherent to the electronic structure of molecules with multiple (near-)degenerate frontier orbitals. Here, we…
The control and manipulation of quantum-entangled non-local states is a crucial step for the development of quantum information processing. A promising route to achieve such states on a wide scale is to couple solid-state quantum emitters…
Simulation of quantum systems is challenging due to the exponential size of the state space. Tensor networks provide a systematically improvable approximation for quantum states. 2D tensor networks such as Projected Entangled Pair States…
We present and test a protocol to learn the matrix-product operator (MPO) representation of an experimentally prepared quantum state. The protocol takes as an input classical shadows corresponding to local randomized measurements, and…
The "folding algorithm"\cite{fold1} is a matrix product state algorithm for simulating quantum systems that involves a spatial evolution of a matrix product state. Hence, the computational effort of this algorithm is controlled by the…
Quantum Entanglement is a fundamentally important resource in Quantum Information Science; however, generating it in practice is plagued by noise and decoherence, limiting its utility. Entanglement distillation and forward error correction…
In recent years, reduced basis methods (RBMs) have been adapted to the many-body eigenvalue problem and they have been used, largely in nuclear physics, as fast emulators able to bypass expensive direct computations while still providing…
We compare the performance of extremal optimization (EO), flat-histogram and equal-hit algorithms for finding spin-glass ground states. The first-passage-times to a ground state are computed. At optimal parameter of tau=1.15, EO outperforms…
Electronic ground states are of central importance in chemical simulations, but have remained beyond the reach of efficient classical algorithms except in cases of weak electron correlation or one-dimensional spatial geometry. We introduce…
We present practical methods to measure entanglement for quantum simulators that can be realized with trapped ions, cold atoms, and superconducting qubits. Focussing on long- and short-range Ising-type Hamiltonians, we introduce schemes…
Semiempirical molecular orbital (SEMO) models based on the neglect of diatomic differential overlap (NDDO) approximation efficiently solve the self-consistent field equations by rather drastic approximations. The computational efficiency…
Quantum state tomography serves as a key tool for identifying quantum states generated in quantum computers and simulators, typically involving local operations on individual particles or qubits to enable independent measurements. However,…
Recent efforts in smart manufacturing have enhanced aerospace fuselage assembly processes, particularly by innovating shape adjustment techniques to minimize dimensional gaps between assembled sections. Existing approaches have shown…
Variational quantum eigensolvers (VQE) are among the most promising approaches for solving electronic structure problems on near-term quantum computers. A critical challenge for VQE in practice is that one needs to strike a balance between…