相关论文: A Poincar\'e covariant cascade method for high-ene…
Non-covalent interactions are a key ingredient to determine the structure, stability, and dynamics of materials, molecules, and biological complexes. However, accurately capturing these interactions is a complex quantum many-body problem,…
We present the new code ALCAR developed to model multidimensional, multi energy-group neutrino transport in the context of supernovae and neutron-star mergers. The algorithm solves the evolution equations of the 0th- and 1st-order angular…
Molecular dynamics (MD) simulation, which is considered an important tool for studying physical and chemical processes at the atomic scale, requires accurate calculations of energies and forces. Although reliable energies and forces can be…
We develop an efficient algorithm for a spatially inhomogeneous matrix-valued quantum Boltzmann equation derived from the Hubbard model. The distribution functions are $2 \times 2$ matrix-valued to accommodate the spin degree of freedom,…
In computational molecular science, calculation of electrostatic interactions involving charged atoms - the strongest interactions in condensed phases, is a major bottleneck. We propose a quantum-classical algorithm for fast, yet, accurate…
Atomic nuclei are self-organized, many-body quantum systems bound by strong nuclear forces within femtometer-scale space. These complex systems manifest a variety of shapes, traditionally explored using non-invasive spectroscopic techniques…
Event-by-event QCD kinetic theory simulations are hindered by the large numerical cost of evaluating the high-dimensional collision integral in the Boltzmann equation. In this work, we show that a neural network can be used to obtain an…
We study the equilibrium dynamics of a weakly interacting Bose-Einstein condensate trapped in a box. In our approach we use a semiclassical approximation similar to the description of a multi-mode laser. In dynamical equations derived from…
A recent reformulation [1] of the problem of Coulomb gases in the presence of a dynamical dielectric medium showed that finite temperature simulations of such systems can be accomplished on the basis of completely local Hamiltonians on a…
We present a numerical method to simulate the dynamics of continuous-variable quantum many-body systems. Our approach is based on custom neural-network many-body quantum states. We focus on dynamics of two-dimensional quantum rotors and…
An algorithm is presented for numerical computation of choreographies in spaces of constant negative curvature in a hyperbolic cotangent potential, extending the ideas given in a companion paper for computing choreographies in the plane in…
We propose a hybrid quantum-classical framework to solve the elastic scattering phase shift of two well-bound nuclei in an uncoupled channel. Within this framework, we develop a many-body formalism in which the continuum scattering states…
We benchmark the ZPC parton cascade with an exact analytical solution of the relativistic Boltzmann equation for a homogeneous and massless gas with a constant and isotropic elastic cross section. We measure the accuracy of ZPC with the…
We present a new parton model approach for nuclear collisions at RHIC energies (and beyond). It is a selfconsistent treatment, using the same formalism for calculating cross sections like the total and the inelastic one and, on the other…
We develop a pairing-based graph neural network for simulating quantum many-body systems. Our architecture augments a BCS-type geminal wavefunction with a generalized pair amplitude parameterized by a graph neural network. Variational Monte…
A four-way coupling scheme for the direct numerical simulation of particle-laden flows is developed and analyzed. It employs a novel adaptive multi-relaxation time lattice Boltzmann method to simulate the fluid phase efficiently. The…
We describe a path-integral approach for including nuclear quantum effects in non-adiabatic chemical dynamics simulations. For a general physical system with multiple electronic energy levels, a corresponding isomorphic Hamiltonian is…
How to develop efficient numerical schemes while preserving the energy stability at the discrete level is a challenging issue for the three component Cahn-Hilliard phase-field model. In this paper, we develop first and second order temporal…
We present a theoretical analysis of the competition between so-called nuclear Jacobi and Poincar\'e shape transitions in function of spin - at high temperatures. The latter condition implies the method of choice - a realistic version of…
Quantum gas systems are ideal analog quantum simulation platforms for tackling some of the most challenging problems in strongly correlated quantum matter. However, they also expose the urgent need for new theoretical frameworks. Simple…