Related papers: Encoding electronic ground-state information with …
Entanglement is essential for quantum information processing, but is limited by noise. We address this by developing high-yield entanglement distillation protocols with several advancements. (1) We extend the 2-to-1 recurrence entanglement…
We present a formalism for encoding the logical basis of a qubit into subspaces of multiple physical levels. The need for this multilevel encoding arises naturally in situations where the speed of quantum operations exceeds the limits…
We propose a quantum algorithm, inspired by ADAPT-VQE, to variationally prepare the ground state of a quantum Hamiltonian, with the desirable property that if it fails to find the ground state, it still yields a physically meaningful…
In the present study, two-different reduced-order models are proposed for $\text{H}_2\left(\text{X}^1\Sigma_g^+\right)$+$\text{H}\left({}^2\text{S}\right)$ system by leveraging first-principle quasi-classical trajectory simulations and…
Variational optimization of orbitals in time-independent density functional calculations of excited electronic states presents a significant challenge, as excited states typically correspond to saddle points on the electronic energy…
Quantum--Mechanical methods that are both computationally fast and accurate are not yet available for electronic excitations having charge transfer character. In this work, we present a significant step forward towards this goal for those…
Measurement-based cooling is a method by which a quantum system, initially in a thermal state, can be prepared in its ground state through some sort of measurement. This is done by making a measurement that heralds the system being in the…
We propose a means for constructing highly accurate equations of state (EOS) for elemental solids and liquids essentially from first principles, based upon a particular decomposition of the underlying condensed matter Hamiltonian for the…
The energy minimization involved in density functional calculations of electronic systems can be carried out using an exponential transformation that preserves the orthonormality of the orbitals. The energy of the system is then represented…
We propose new quantum algorithms for thermal and ground state preparation based on system-bath interactions. These algorithms require only forward evolution under a system-bath Hamiltonian in which the bath is a single reusable ancilla…
Considering recent advancements and successes in the development of efficient quantum algorithms for electronic structure calculations --- alongside impressive results using machine learning techniques for computation --- hybridizing…
We propose a variational framework for solving ground-state problems of open quantum systems governed by quantum stochastic differential equations (QSDEs). This formulation naturally accommodates bosonic operators, as commonly encountered…
We introduce a class of states, called minimally entangled typical thermal states (METTS), designed to resemble a typical state of a quantum system at finite temperature with a bias towards classical (minimally entangled) properties. These…
Despite the success of deep learning methods in quantum chemistry, their representational capacity is most often confined to neutral, closed-shell molecules. However, real-world chemical systems often exhibit complex characteristics,…
Variational Quantum Eigensolver (VQE) provides a lucrative platform to determine molecular energetics in near-term quantum devices. While the VQE is traditionally tailored to determine the ground state wavefunction with the underlying…
We analyze fermionic entanglement and correlation measures in the ground and the low temperature thermal state of the water molecule as a function of the internuclear distance in the context of the full configuration interaction approach.…
This paper establishes new connections between many-body quantum systems, One-body Reduced Density Matrices Functional Theory (1RDMFT) and Optimal Transport (OT), by interpreting the problem of computing the ground-state energy of a finite…
We show an equivalence relation between fault-tolerant circuits for a stabilizer code and fault-tolerant adiabatic processes for holonomic quantum computation (HQC), in the case where quantum information is encoded in the degenerated ground…
The computational description of correlated electronic structure, and particularly of excited states of many-electron systems, is an anticipated application for quantum devices. An important ramification is to determine the dominant…
Conceiving a molecule as composed of smaller molecular fragments, or subunits, is one of the pillars of the chemical and physical sciences, and leads to productive methods in quantum chemistry. Using a fragmentation scheme, efficient…