Related papers: An Optimal Framework for Constructing Lie-Algebra …
Using the BV-formalism of mathematical physics an explicit construction for the minimal model of a quantum L-infinity-algebra is given as a formal super integral. The approach taken herein to these formal integrals is axiomatic; they can be…
The Variational Quantum Eigensolver (VQE) is a promising algorithm for Noisy Intermediate Scale Quantum (NISQ) computation. Verification and validation of NISQ algorithms' performance on NISQ devices is an important task. We consider the…
Quantum mechanics has introduced a new theoretical framework for the study of molecules, enabling the prediction of properties and dynamics through the solution of the Schr\"odinger equation applied to these systems. However, solving this…
Machine learning interatomic potentials (MLIPs) are routinely used atomic simulations, but generating databases of atomic configurations used in fitting these models is a laborious process, requiring significant computational and human…
Computational chemistry is one of the most promising applications of quantum computing, mostly thanks to the development of the Variational Quantum Eigensolver (VQE) algorithm. VQE is being studied extensively and numerous optimisations of…
Determination of molecular energetics and properties is one of the core challenges in the near-term quantum computing. To this end, hybrid quantum-classical algorithms are preferred for Noisy Intermediate Scale Quantum (NISQ) architectures.…
Given a differential graded Lie algebra (dgla) L satisfying certain conditions, we construct Poisson structures on the gauge orbits of its set of Maurer-Cartan (MC) elements, termed Maurer-Cartan-Poisson (MCP) structures. They associate a…
The ground state search problem is central to quantum computing, with applications spanning quantum chemistry, condensed matter physics, and optimization. The Variational Quantum Eigensolver (VQE) has shown promise for small systems but…
Variational quantum eigensolver (VQE) is a promising algorithm suitable for near-term quantum machines. VQE aims to approximate the lowest eigenvalue of an exponentially sized matrix in polynomial time. It minimizes quantum resource…
Quantum simulation of quantum chemistry is one of the most compelling applications of quantum computing. It is of particular importance in areas ranging from materials science, biochemistry and condensed matter physics. Here, we propose a…
This thesis focuses on the Lie-theoretic foundations of controlled open quantum systems. We describe Markovian open quantum system evolutions by Lie semigroups, whose corresponding infinitesimal generators lie in a special type of convex…
Quantum computing brings a promise of new approaches into computational quantum chemistry. While universal, fault-tolerant quantum computers are still not available, we want to utilize today's noisy quantum processors. One of their flagship…
Some more general "inheritance conditions" have been found for a given set of symmetry generators $\{\mathbf{Z}_{\bar{l}}\}$ acting on some set of coupled ordinary differential equations, once the "first integration method" has been applied…
Adaptive variational quantum simulation algorithms use information from the quantum computer to dynamically create optimal trial wavefunctions for a given problem Hamiltonian. A key ingredient in these algorithms is a predefined operator…
A systematic computational approach for the explicit construction of any quantum Hopf algebra (U_z(g),\Delta_z) starting from the Lie bialgebra (g,\delta) that gives the first-order deformation of the coproduct map \Delta_z is presented.…
ADAPT-VQE is a robust algorithm for hybrid quantum-classical simulations of quantum chemical systems on near-term quantum computers. While its iterative process systematically reaches the ground state energy, ADAPT-VQE is sensitive to local…
The Variational Quantum Eigensolver (VQE) is widely regarded as a promising algorithm for calculating ground states of quantum systems that are intractable for classical computers. This promise is typically motivated by the hope of…
In order to answer the problem of Quantum Phase Estimation Algorithm been not suitable for NISQ devices, and allows one to outperform classical computers, Variational Quantum Algorithms (VQAs) were designed. Our subject of interest is the…
Due to their non-iterative nature, fixed Unitary Coupled-Cluster (UCC) ans\"atze are attractive for performing quantum chemistry Variational Quantum Eigensolver (VQE) computations as they avoid pre-circuit measurements on a quantum…
We show the applicability of the Cartan decomposition of Lie algebras to quantum circuits. This approach can be used to synthesize circuits that can efficiently implement any desired unitary operation. Our method finds explicit quantum…