Related papers: Quantum Simulation of Molecules without Fermionic …
For strongly quantum-degenerate systems at finite temperatures, the fermion sign problem remains the major obstacle to first-principles simulations. In this work, we apply the recently proposed pseudo-fermion method - designed to overcome…
We present a quantum algorithm for simulating rovibrational Hamiltonians on fault-tolerant quantum computers. The method integrates exact curvilinear kinetic energy operators and general-form potential energy surfaces expressed in a hybrid…
While the treatment of chemically relevant systems containing hundreds or even thousands of electrons remains beyond the reach of quantum devices, the development of quantum-classical hybrid algorithms to resolve electronic correlation…
Molecular quantum simulations with the variational quantum eigensolver (VQE) rely on ansatz states that approximate the molecular ground states. These ansatz states are generally defined by parametrized fermionic excitation operators and an…
Recent experimental progress in controlling neutral group-II atoms for optical clocks, and in the production of degenerate gases with group-II atoms has given rise to novel opportunities to address challenges in quantum computing and…
We present a quantum algorithm for the simulation of molecular systems that is asymptotically more efficient than all previous algorithms in the literature in terms of the main problem parameters. As in previous work [Babbush et al., New…
Transitions of many-particle quantum systems between distinct phases at absolute-zero temperature, known as quantum phase transitions, require an exacting treatment of particle correlations. In this work, we present a general…
Quantum computing is being extensively used in quantum chemistry, especially in simulating simple molecules and evaluating properties like the ground state energy, dipole moment, etc. The transformation of a molecular Hamiltonian from the…
We compute the two-loop fermion self-energy in massless reduced quantum electrodynamics for an arbitrary gauge using the method of integration by parts. Focusing on the limit where the photon field is four-dimensional, our formula involves…
Simulations of energy loss and hadronization are essential for understanding a range of phenomena in non-equilibrium strongly-interacting matter. We establish a framework for performing such simulations on a quantum computer and apply it to…
We introduce the concept of embedding quantum simulators, a paradigm allowing the efficient quantum computation of a class of bipartite and multipartite entanglement monotones. It consists in the suitable encoding of a simulated quantum…
The statistical mechanics of nonrelativistic fermions in a constant magnetic field is considered from the quantum field theory point of view. The fermionic determinant is computed using a general procedure that contains all possible…
Fermions are fundamental particles which obey seemingly bizarre quantum-mechanical principles, yet constitute all the ordinary matter that we inhabit. As such, their study is heavily motivated from both fundamental and practical incentives.…
Efficient simulation of interacting fermionic systems is a key application of near-term quantum computers, but is hindered by the overhead required to encode fermionic operators on qubit hardware. Here, we consider models with $N$ fermionic…
Variational calculation of the ground state energy and its properties using the second-order reduced density matrix (2-RDM) is a promising approach for quantum chemistry. A major obstacle with this approach is that the $N$-representability…
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…
The utility of solving the Fermi-Hubbard model has been estimated in the billions of dollars. Digital quantum computers can in principle address this task, but have so far been limited to quasi one-dimensional models. This is because of…
Loading functions into quantum computers represents an essential step in several quantum algorithms, such as quantum partial differential equation solvers. Therefore, the inefficiency of this process leads to a major bottleneck for the…
Quantum chemical calculations of the ground-state properties of positron-molecule complexes are challenging. The main difficulty lies in employing an appropriate basis set for representing the coalescence between electrons and a positron.…
Special stochastic representation of the wave function in Quantum Mechanics (QM), based on soliton realization of extended particles, is suggested with the aim to model quantum states via classical computer. Entangled solitons construction…