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Quantum Monte Carlo (QMC) is an advanced simulation methodology for studies of manybody quantum systems. In this review, we focus on the electronic structure QMC, i.e., methods relevant for systems described by the electron-ion…
A method is presented in which the ground-state subspace is projected out of a Hamiltonian representation. As a result of this projection, an effective Hamiltonian is constructed where its ground-state coincides with an excited-state of the…
The general problem of finding the ground state energy of lattice Hamiltonians is known to be very hard, even for a quantum computer. We show here that this is the case even for translationally invariant systems. We also show that a quantum…
Reconstructing a system Hamiltonian through measurements on its eigenstates is an important inverse problem in quantum physics. Recently, it was shown that generic many-body local Hamiltonians can be recovered by local measurements without…
We develop a workflow to use current quantum computing hardware for solving quantum many-body problems, using the example of the fermionic Hubbard model. Concretely, we study a four-site Hubbard ring that exhibits a transition from a…
The complex-scaling method can be used to calculate molecular resonances within the Born-Oppenheimer approximation, assuming the electronic coordinates are dilated independently of the nuclear coordinates. With this method, one will…
The estimation of low energies of many-body systems is a cornerstone of computational quantum sciences. Variational quantum algorithms can be used to prepare ground states on pre-fault-tolerant quantum processors, but their lack of…
The common spin Hamiltonians such as the Ising, XY, or Heisenberg model do not have ground states that are the graph states needed in measurement-based quantum computation. Various highly-entangled many-body states have been suggested as a…
Electronic decoherence processes in molecules and materials are usually thought and modeled via schemes for the system-bath evolution in which the bath is treated either implicitly or approximately. Here we present computations of the…
H\"uckel molecular orbital (HMO) theory provides a semi-empirical treatment of the electronic structure in conjugated {\pi}-electronic systems. A scalable system-agnostic execution of HMO theory on a quantum computer is reported here based…
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…
We present a novel method for improving the quantum simulation of the ground state energy of molecules. We perform a pre-processing step classically, which reduces the dimensionality of the problem by generating a custom mapping which…
Variational quantum algorithms (VQAs) have emerged in recent years as a promise to obtain quantum advantage. These task-oriented algorithms work in a hybrid loop combining a quantum processor and classical optimization. Using a specific…
Quantum computation can be achieved by preparing an appropriate initial product state of qudits and then letting it evolve under a fixed Hamiltonian. The readout is made by measurement on individual qudits at some later time. This approach…
We propose a framework for computing the structure and dynamics for second-quantized many-nucleon Hamiltonians on quantum computers. We develop an oracle-based Hamiltonian input model that computes the many-nucleon states and nonzero…
To obtain estimates of electronic energies, the Variational Quantum Eigensolver (VQE) technique performs separate measurements for multiple parts of the system Hamiltonian. Current quantum hardware is restricted to projective single-qubit…
Quantum error correction was invented to allow for fault-tolerant quantum computation. Systems with topological order turned out to give a natural physical realization of quantum error correcting codes (QECC) in their groundspaces. More…
Quantum computation is a promising emerging technology, and by utilizing the principles of quantum mechanics, it is expected to achieve faster computations than classical computers for specific problems. There are two distinct architectures…
Hamiltonian light-front quantum field theory provides a framework for calculating both static and dynamic properties of strongly interacting relativistic systems. Invariant masses, correlated parton amplitudes and time-dependent scattering…
An algorithm for quantum computing Hamiltonian cycles of simple, cubic, bipartite graphs is discussed. It is shown that it is possible to evolve a quantum computer into an entanglement of states which map onto the set of all possible paths…