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Current quantum computing hardware is restricted by the availability of only few, noisy qubits which limits the investigation of larger, more complex molecules in quantum chemistry calculations on quantum computers in the near-term. In this…
Quantum embedding methods have recently developed significantly to model large molecular structures. This work proposes a novel wave function theory in density functional theory (WTF-in-DFT) embedding scheme based on pair-coupled cluster…
We introduce a novel scheme for one-way quantum computing (QC) based on the use of information encoded qubits in an effective cluster state resource. With the correct encoding structure, we show that it is possible to protect the entangled…
Experience from seven decades of classical computing suggests that a sustainable computer industry depends on a community of software engineers writing programs to address a wide variety of specific end-user needs, achieving both…
A central problem in many-body quantum physics is the determination of the ground state of a thermodynamically large physical system. We construct a cluster expansion for ground states of local Hamiltonians, which naturally incorporates…
Quantum computers use quantum mechanical phenomena to perform conventionally intractable calculations for specific problems. Despite being universal machines, quantum computers are not expected to replace classical computers, but rather, to…
Quantum computing, leveraging quantum phenomena like superposition and entanglement, is emerging as a transformative force in computing technology, promising unparalleled computational speed and efficiency crucial for engineering…
It has been recently realized that dissipative processes can be harnessed and exploited to the end of coherent quantum control and information processing. In this spirit we consider strongly dissipative quantum systems admitting a…
We present a framework for computing the solution to Hamiltonian eigenproblems in a subspace defined by bit-strings sampled from a quantum computer. Hamiltonians are represented using an extended alphabet that includes projection and ladder…
Quantum-selected configuration interaction (QSCI) utilizes an input quantum state on a quantum device to select important bases (electron configurations in quantum chemistry) that define a subspace in which to diagonalize a target…
We describe quantum and classical Hamiltonian dynamics in a common Hilbert space framework, that allows the treatment of mixed quantum-classical systems. The analysis of some examples illustrates the possibility of entanglement between…
When electron correlations are important it is often necessary to use numerical methods to solve the Hamiltonian for a finite system (cluster) "exactly". Unfortunately, such methods are restricted to small systems. We propose to combine the…
The solution space of many classical optimization problems breaks up into clusters which are extensively distant from one another in the Hamming metric. Here, we show that an analogous quantum clustering phenomenon takes place in the ground…
Quantum devices, from simple fixed-function tools to the ultimate goal of a universal quantum computer, will require high quality, frequent repetition of a small set of core operations, such as the preparation of entangled states. These…
Continuous-variable cluster states offer a potentially promising method of implementing a quantum computer. This paper extends and further refines theoretical foundations and protocols for experimental implementation. We give a…
Real quantum systems couple to their environment and lose their intrinsic quantum nature through the process known as decoherence. Here we present a method for minimizing decoherence by making it energetically unfavorable. We present a…
The technology of Quantum Computing (QC) is continuously evolving, as researchers explore new technologies and the public gains access to quantum computers with an increasing number of qubits. In addition, the research community and…
We review here the recent success in quantum annealing, i.e., optimization of the cost or energy functions of complex systems utilizing quantum fluctuations. The concept is introduced in successive steps through the studies of mapping of…
Quantum subspace diagonalization (QSD) methods are quantum-classical hybrid methods, commonly used to find ground and excited state energies by projecting the Hamiltonian to a smaller subspace. In applying these, the choice of subspace…
First quantized, grid-based methods for chemistry modelling are a natural and elegant fit for quantum computers. However, it is infeasible to use today's quantum prototypes to explore the power of this approach, because it requires a…