Related papers: Emulating \emph{ab initio} computations of infinit…
Gaussian process (GP) emulator has been used as a surrogate model for predicting force field and molecular potential, to overcome the computational bottleneck of molecular dynamics simulation. Integrating both atomic force and energy in…
We calculate the equation of state of isospin-symmetric nuclear matter in the three-loop approximation of chiral perturbation theory. The contributions to the energy per particle $\bar E(k_f)$ from one- and two-pion exchange diagrams are…
Reduced basis methods provide a powerful framework for building efficient and accurate emulators. Although widely applied in many fields to simplify complex models, reduced basis methods have only been recently introduced into nuclear…
We perform statistically rigorous uncertainty quantification (UQ) for chiral effective field theory ($\chi$EFT) applied to infinite nuclear matter up to twice nuclear saturation density. The equation of state (EOS) is based on high-order…
Ab initio calculations play an essential role in our fundamental understanding of quantum many-body systems across many subfields, from strongly correlated fermions to quantum chemistry and from atomic and molecular systems to nuclear…
The preparation of quantum states using short quantum circuits is one of the most promising near-term applications of small quantum computers, especially if the circuit is short enough and the fidelity of gates high enough that it can be…
Motivated by far-reaching applications ranging from quantum simulations of complex processes in physics and chemistry to quantum information processing, a broad effort is currently underway to build large-scale programmable quantum systems.…
Quantum computers hold promise to enable efficient simulations of the properties of molecules and materials; however, at present they only permit ab initio calculations of a few atoms, due to a limited number of qubits. In order to harness…
We study nuclear and neutron matter by combining chiral effective field theory with non-perturbative lattice methods. In our approach nucleons and pions are treated as point particles on a lattice. This allows us to probe larger volumes,…
We report a quantum Monte Carlo calculation of the equation of state of symmetric nuclear matter using local interactions derived from chiral effective field theory up to next-to-next-to-leading order fit to few-body observables only. The…
Multi-messenger observations of neutron stars (NSs) and their mergers have placed strong constraints on the dense-matter equation of state (EOS). The EOS, in turn, depends on microscopic nuclear interactions that are described by nuclear…
We propose a novel idea to construct an effective interaction under energy-density-functional (EDF) theories which is adaptive to the enlargement of the model space. Guided by effective field theory principles, iterations of interactions as…
Recently we have developed a novel chiral power counting scheme for an effective field theory of nuclear matter with nucleons and pions as degrees of freedom [1]. It allows for a systematic expansion taking into account both local as well…
We explore the preparation of specific nuclear states on gate-based quantum hardware using variational algorithms. Large scale classical diagonalization of the nuclear shell model have reached sizes of $10^9 - 10^{10}$ basis states, but are…
We study the equation of state of symmetric nuclear matter at zero temperature over a wide range of densities using two complementary theoretical approaches. At low densities up to twice nuclear saturation density, we compute the energy per…
We propose a practical, scalable, and efficient scheme for quantum computation using spatially separated matter qubits and single photon interference effects. The qubit systems can be NV-centers in diamond, Pauli-blockade quantum dots with…
Correlations in interacting many-particle systems can lead to the formation of clusters, in particular bound states and resonances. Systematic quantum statistical approaches allow to combine the nuclear statistical equilibrium description…
An iterative version of the qubit coupled cluster (QCC) method [I.G. Ryabinkin et al., J. Chem. Theory Comput. 14, 6317 (2019)] is proposed. The new method seeks to find ground electronic energies of molecules on noisy intermediate-scale…
Measurement-based quantum computation, an alternative paradigm for quantum information processing, uses simple measurements on qubits prepared in cluster states, a class of multiparty entangled states with useful properties. Here we propose…
Ab initio simulations are capable of providing detailed information of material behavior at the nanoscale. Simulating experimentally relevant situations is, however, often computationally intense. Using hybrid approaches between ab initio…