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We present a second-order formulation of multi-reference algebraic diagrammatic construction theory [Sokolov, A. Yu. J. Chem. Phys. 2018, 149, 204113] for simulating photoelectron spectra of strongly correlated systems (MR-ADC(2)). The…

The projection-based quantum embedding method is applied to electronically excited states of valence, Rydberg, and charge-transfer character, valence- and core-ionized states, as well as bound and temporary radical anions. We embed…

Classical shadow tomography provides a randomized scheme for approximating the quantum state and its properties at reduced computational cost with applications in quantum computing. In this Letter we present an algorithm for realizing fewer…

In this article, we prove that exact representations of dimer and plaquette valence-bond ket ground states for quantum Heisenberg antiferromagnets may be formed via the usual coupled cluster method (CCM) from independent-spin product (e.g.…

The electron pair approximation offers a resource efficient variational quantum eigensolver (VQE) approach for quantum chemistry simulations on quantum computers. With the number of entangling gates scaling quadratically with system size…

Understanding the strong interaction dynamics that govern the emergence of hadron mass (EHM) represents a challenging open problem in the Standard Model. In this paper we describe new opportunities for gaining insight into EHM from results…

One-class classification (OCC) is a fundamental problem in machine learning with numerous applications, such as anomaly detection and quality control. With the increasing complexity and dimensionality of modern datasets, there is a growing…

We compute the first four perturbative coefficients of the internal energy for the twisted reduced principal chiral model (TRPCM) using numerical stochastic perturbation theory (NSPT). This matrix model has the same large $N$ limit as the…

We calculate steady-state properties of a strongly correlated quantum dot under voltage bias by means of non-equilibrium Cluster Perturbation Theory and the non-equilibrium Variational Cluster Approach, respectively. Results for the…

Perturbation theory (PT) has been used to interpret the observed nonlinear large-scale structure statistics at the quasi-linear regime. To facilitate the PT-based analysis, we have presented the GridSPT algorithm, a grid-based method to…

In this Ph.D. thesis, the primary goal is to present a recent investigation of the finite density thermodynamics of hot and dense quark-gluon plasma. As we are interested in a temperature regime, in which naive perturbation theory is known…

The accurate computation of properties of large molecular systems is classically infeasible and is one of the applications in which it is hoped that quantum computers will demonstrate an advantage over classical devices. However, due to the…

Ab initio description of point defects in semiconductors, characterized by in-gap states of significant multideterminant character, presents a longstanding theoretical challenge for density functional theory (DFT) methods. In this study, we…

In quantum metrology, measurements are usually treated as passive readout processes. Here we investigate whether post-selected von Neumann measurements (PVNMs) can be used as an active resource to reshape the nonclassical properties of a…

We explore the potential for hybrid development of quantum hardware where currently available quantum computers simulate open Cavity Quantum Electrodynamical (CQED) systems for applications in optical quantum communication, simulation and…

Lattice NRQCD with leading finite lattice spacing errors removed is used to simulate heavy-heavy vector decay constants. Quenched simulations are performed at three values of the coupling and fifteen values of the quark mass. The improved…

We present a novel and cost-effective approach of using a second similarity transformation of the Hamiltonian to include the missing higher-order terms in the second-order approximate coupled cluster singles and doubles (CC2) model. The…

An extension of the Variational Quantum Eigensolver (VQE) method is presented where a quantum computer generates an accurate exchange-correlation potential for a Density Functional Theory (DFT) simulation on classical hardware. The method…

Numerical Stochastic Perturbation Theory (NSPT) allows for perturbative computations in quantum field theory. We present an implementation of NSPT that yields results for high orders in the perturbative expansion of lattice gauge theories…

A non-equilibrium theory describing the charge qubit dynamics measured by a quantum point contact is developed based on Schwinger-Keldysh's approach. Using the real-time diagram technique, we derive the master equation to all orders in…