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Quantum simulation of quantum field theory is a flagship application of quantum computers that promises to deliver capabilities beyond classical computing. The realization of quantum advantage will require methods to accurately predict…
Efficient sampling from ensembles of Hamiltonian cycles is critical for predicting the thermodynamic properties of compact polymers, with applications including modeling protein and RNA folding and designing soft materials. Although…
The properties of ionic solutions between charged surfaces are often studied within the Poisson-Boltzmann framework, by finding the electrostatic potential profile. For example, the osmotic pressure between two charged planar surfaces can…
The boundary element method (BEM) enables solving three-dimensional electromagnetic problems using a two-dimensional surface mesh, making it appealing for applications ranging from electrical interconnect analysis to the design of…
We study the ultimate bounds on the estimation of temperature for an interacting quantum system. We consider two coupled bosonic modes that are assumed to be thermal and using quantum estimation theory establish the role the Hamiltonian…
A candidate application for quantum computers is to simulate the low-temperature properties of quantum systems. For this task, there is a well-studied quantum algorithm that performs quantum phase estimation on an initial trial state that…
The success of first principles electronic structure calculation for predictive modeling in chemistry, solid state physics, and materials science is constrained by the limitations on simulated length and time scales due to computational…
We show that following the standard mantra of quantum chemistry and diagonalizing the Born-Oppenheimer (BO) Hamiltonian $\hat H_{\rm BO}(\bm R)$ is not the optimal means to construct potential energy surfaces. A better approach is to…
There is widespread interest in calculating the energy spectrum of a Hamiltonian, for example to analyze optical spectra and energy deposition by ions in materials. In this study, we propose a quantum algorithm that samples the set of…
We revisit quantum phase estimation algorithms for the purpose of obtaining the energy levels of many-body Hamiltonians and pay particular attention to the statistical analysis of their outputs. We introduce the mean phase direction of the…
We present an implementation of alchemical free energy simulations at the quantum mechanical level by directly interpolating the electronic Hamiltonian. The method is compatible with any level of electronic structure theory and requires…
A general time-dependent projection technique is applied to the study of the dynamics of quantum correlations in a system consisting of interacting fermionic and bosonic subsystems, described by the Jaynes-Cummings Hamiltonian. The…
We analyze parameter sensitivities of the mapped interacting boson model (IBM) and boson-fermion-fermion model (IBFFM) in the description of $\beta$-decay properties of the even-mass neutron-deficient Ge and As, and neutron-rich Zr and Mo…
In terms of the Interacting Boson Model, shape invariants for the ground state, formed by quadrupole moments up to sixth order, are studied in the dynamical symmetry limits and, for the first time, over the whole structural range of the…
Equation of state of uncharged bosonic matter is studied within a field-theoretical approach in the mean-field approximation. Interaction of bosons is described by a scalar field $\sigma$ with a Skyrme-like potential which contains both…
The phase diagram of a two-fluid bosonic system is investigated. The proton-neutron interacting boson model (IBM-2) possesses a rich phase structure involving three control parameters and multiple order parameters. The surfaces of quantum…
Bosonic quantum devices offer a novel approach to realize quantum computations, where the quantum two-level system (qubit) is replaced with the quantum (an)harmonic oscillator (qumode) as the fundamental building block of the quantum…
The generalization of matrix product states (MPS) to continuous systems, as proposed in the breakthrough paper [F. Verstraete, J.I. Cirac, Phys. Rev. Lett. 104, 190405(2010)], provides a powerful variational ansatz for the ground state of…
We introduce a class of interatomic potential models that can be automatically generated from data consisting of the energies and forces experienced by atoms, derived from quantum mechanical calculations. The resulting model does not have a…
We present a new theoretical approach for the study of the phase diagram of interacting quantum particles: bosons, fermions or spins. In the neighborhood of a phase transition, the expected renormalization group structure is recovered both…