相关论文: Dimension-free Ergodicity of Path Integral Molecul…

We investigate a thermally isolated quantum many-body system with an external control represented by a time-dependent parameter. We formulate a path integral in terms of thermal pure states and derive an effective action for trajectories in…

We present parameter-interpolated dynamic mode decomposition (piDMD), a parametric reduced-order modeling framework that embeds known parameter-affine structure directly into the DMD regression step. Unlike existing parametric DMD methods…

Dynamical Lie-algebraic method for the construction of local quantum invariants of motion in non-integrable many-body systems is proposed and applied to a simple but generic toy model, namely an infinite kicked $t-V$ chain of spinless…

Quantum systems of indistinguishable particles are commonly described using the formalism of second quantisation, which relies on the assumption that any admissible quantum state must be either symmetric or anti-symmetric under particle…

Classical thermodynamics is a theory based on coarse-graining, meaning that the thermodynamic variables arise from discarding information related to the microscopic features of the system at hand. In quantum mechanics, however, where one…

A multilevel approach to sample the potential energy surface in a path integral formalism is proposed. The purpose is to reduce the required number of ab initio evaluations of energy and forces in ab initio path integral molecular dynamics…

The Iterated Perturbation Theory (IPT) equations of the Dynamical Mean Field Theory (DMFT) for the half-filled Hubbard model, are solved on nearly real frequencies at various values of the Hubbard parameters $U$, to investigate the nature…

The discrete time path integral Monte Carlo (PIMC) with a one-particle density matrix approximation is applied to study the quantum phase transition in the coupled double-well chain. To improve the convergence properties, the exact action…

The thermodynamical properties of a quantized electromagnetic field inside a box with perfectly conducting walls are studied using a regularization scheme that permits to obtain finite expressions for the thermodynamic potentials. The…

We present computer simulations of a simple bead-spring model for polymer melts with intramolecular barriers. By systematically tuning the strength of the barriers, we investigate their role on the glass transition. Dynamic observables are…

The ground states of noninteracting fermions in one-dimension with chiral symmetry form a class of topological band insulators, described by a topological invariant that can be related to the Zak phase. Recently, a generalization of this…

Ring polymer molecular dynamics (RPMD) is an accurate method for calculating thermal chemical reaction rates. It has recently been discovered that low-temperature calculations are strongly affected by the simulation parameters. Here, for…

Ab-initio molecular dynamics (AIMD) is a powerful tool to simulate physical movements of molecules for investigating properties of materials. While AIMD is successful in some applications, circumventing its high computational costs is…

Previous experimental realizations of Dicke model in atomic or ionic systems are based on global observables assuming uniform spin-boson coupling, while inevitable experimental nonuniformity on the one hand requires site-resolved…

A model in statistical mechanics, characterised by the corresponding Gibbs measure, is a subset of the totality of probability distributions on the phase space. The shape of this subset, i.e., the geometry, then plays an important role in…

If we use the path integral approach, we can write quantum electrodynamics (QED) in a way that is manifestly relativistic. However the path integrals are confined to paths that are on mass-shell. What happens if we extend QED by computing…

The recently introduced multisite tensor network path integral (MS-TNPI) method [Bose and Walters, J. Chem. Phys., 2022, 156, 24101.] for simulation of quantum dynamics of extended systems has been shown to be effective in studying…

We study the thermodynamic properties of infinite nuclear matter with the Ultrarelativistic Quantum Molecular Dynamics (URQMD), a semiclassical transport model, running in a box with periodic boundary conditions. It appears that the energy…

The semiclassical Euclidean path integral method is applied to compute the low temperature quantum decay rate for a particle placed in the metastable minimum of a cubic potential in a {\it finite} time theory. The classical path, which…

Thermodynamic and transport properties of nuclear fireball created in the central region of heavy-ion collisions below 400 MeV/nucleon are investigated within the isospin-dependent quantum molecular dynamic (IQMD) model. These properties…