Related papers: Electronic Structure Calculations and the Ising Ha…
In this study, we present a novel analytical approach to solving large-scale Ising problems by reformulating the discrete Ising Hamiltonian into a continuous framework. This transformation enables us to derive exact solutions for a…
In the near future, material and drug design may be aided by quantum computer assisted simulations. These have the potential to target chemical systems intractable by the most powerful classical computers. However, the resources offered by…
Quantum and classical physics can be used for mathematical computations that are hard to tackle by conventional electronics. Very recently, optical Ising machines have been demonstrated for computing the minima of spin Hamiltonians, paving…
One of the most promising applications of quantum computers is solving partial differential equations (PDEs). By using the Schrodingerisation technique - which converts non-conservative PDEs into Schrodinger equations - the problem can be…
Reducing the complexity of quantum algorithms to treat quantum chemistry problems is essential to demonstrate an eventual quantum advantage of Noisy-Intermediate Scale Quantum (NISQ) devices over their classical counterpart. Significant…
Electronic structure calculations on small systems such as H$_2$, H$_2$O, LiH, and BeH$_2$ with chemical accuracy are still a challenge for the current generation of the noisy intermediate-scale quantum (NISQ) devices. One of the reasons is…
Electronic transitions involving core-level orbitals offer a localized, atomic-site and element specific peek window into statistical systems such as molecular liquids. Although formally understood, the complex relation between structure…
Owing to the computational complexity of electronic structure algorithms running on classical digital computers, the range of molecular systems amenable to simulation remains tightly circumscribed even after many decades of work. Quantum…
We show that a rectangular collocation method, equivalent to evaluating all matrix elements with a quadrature-like scheme and using more points than basis functions, is an effective approach for solving the electronic Schr\"odinger equation…
An algorithm and a system of quantum circuits is developed and applied to compute accurately the S matrix for the transitions between vibrational states of H2 for collisions with H. The algorithm was applied to 100 eV laboratory collision…
Quantum computers based on superconducting circuits are experiencing a rapid development, aiming at outperforming classical computers in certain useful tasks in the near future. However, the currently available chip fabrication technologies…
Quantum computers have the potential to advance material design and drug discovery by performing costly electronic structure calculations. A critical aspect of this application requires optimizing the limited resources of the quantum…
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…
A promising approach to achieve computational supremacy over the classical von Neumann architecture explores classical and quantum hardware as Ising machines. The minimisation of the Ising Hamiltonian is known to be NP-hard problem for…
We show how quantum metrology protocols that seek to estimate the parameters of a Hamiltonian that exhibits a quantum phase transition can be efficiently simulated on an exponentially smaller quantum computer. Specifically, by exploiting…
Many promising quantum applications depend on the efficient quantum simulation of an exponentially large sparse Hamiltonian, a task known as sparse Hamiltonian simulation, which is fundamentally important in quantum computation. Although…
Many tasks in our modern life, such as planning an efficient travel, image processing and optimizing integrated circuit design, are modeled as complex combinatorial optimization problems with binary variables. Such problems can be mapped to…
We describe an efficient approximation algorithm for evaluating the ground-state energy of the classical Ising Hamiltonian with linear terms on an arbitrary planar graph. The running time of the algorithm grows linearly with the number of…
In electronic structure theory, variational methods offer a valuable paradigm for approximating electronic ground states. However, for historical reasons, this principle is mostly restricted to model chemistries in pre-defined fixed basis…
Geometry and dimensionality have played crucial roles in our understanding of the fundamental laws of nature, with examples ranging from curved space-time in general relativity to modern theories of quantum gravity. In quantum many-body…