相关论文: The multi-configurational time-dependent Hartree a…

We present a fourth-order finite-volume algorithm in space and time for low Mach number reacting flow with detailed kinetics and transport. Our temporal integration scheme is based on a multi-implicit spectral deferred correction (MISDC)…

We develop simple numerical algorithms for both stationary and non-stationary solutions of the time-dependent Gross-Pitaevskii (GP) equation describing the properties of Bose-Einstein condensates at ultra low temperatures. In particular, we…

We present the time-dependent restricted-active-space self-consistent field (TD-RASSCF) theory as a new framework for the time-dependent many-electron problem. The theory generalizes the multiconfigurational time-dependent Hartree-Fock…

In the framework of a mixed finite element method, a structure-preserving formulation for incompressible magnetohydrodynamic (MHD) equations with general boundary conditions is proposed. A leapfrog-type temporal scheme fully decouples the…

Imaginary Time Evolution (QITE) approximates this evolution on quantum hardware but suffers from high circuit depth and numerous measurements. In this work we introduce Adaptive-time Compressed QITE (ACQ), a novel algorithm that reduces…

In this paper, we first establish a new fractional magnetohydrodynamic (MHD) coupled flow and heat transfer model for a generalized second-grade fluid. This coupled model consists of a fractional momentum equation and a heat conduction…

Perturbative schemes utilizing a spectral moment expansion are well known and extensively used for investigating the physics of model Hamiltonians and real material systems. The advantages they offer, in terms of being computationally…

We derive a novel lattice Hamiltonian, the \emph{Molecular Hubbard Hamiltonian} (MHH), which describes the essential many body physics of closed-shell ultracold heteronuclear molecules in their absolute ground state in a…

Efficient time integration schemes are necessary to capture the complex processes involved in atmospheric flows over long periods of time. In this work, we propose a high-order, implicit-explicit numerical scheme that combines Multi-Level…

Transcorrelated methods provide an efficient way of partially transferring the description of electronic correlations from the ground state wavefunction directly into the underlying Hamiltonian. In particular, Dobrautz et al. [Phys. Rev. B,…

Numerical integration of orbit trajectories for a large number of initial conditions and for long time spans is computationally expensive. Semi-analytical methods were developed to reduce the computational burden. An elegant and widely used…

We introduce a constructive method for mapping non-unitary dynamics to a weighted set of unitary operations. We utilize this construction to derive a new correspondence between real and imaginary time, which we term Imaginary Time Quantum…

We consider an incompressible magnetohydrodynamics (MHD) model in which the classical first-order time derivatives in the momentum and magnetic induction equations are replaced by variable-order Caputo time-fractional derivatives. This…

A new computational method for finite-temperature properties of strongly correlated electrons is proposed by extending the variational Monte Carlo method originally developed for the ground state. The method is based on the path integral in…

We show that a pseudospectral representation of the wavefunction using multiple spatial domains of variable size yields a highly accurate, yet efficient method to solve the time-dependent Schr\"odinger equation. The overall spatial domain…

We develop a fourth-order Magnus expansion based quantum algorithm for the simulation of many-body problems involving two-level quantum systems with time-dependent Hamiltonians, $\mathcal{H}(t)$. A major hurdle in the utilization of the…

This chapter concerns with the recent development of a new DFT methodology for accurate, reliable prediction of many-electron systems. Background, need for such a scheme, major difficulties encountered, as well as their potential remedies…

In this paper, we extend the operator-split asymptotic-preserving, semi-Lagrangian algorithm for time dependent anisotropic heat transport equation proposed in [Chac\'on et al., JCP, 272, 719-746, 2014] to use a fully implicit time…

The finite difference time domain method is one of the simplest and most popular methods in computational electromagnetics. This work considers two possible ways of generalising it to a meshless setting by employing local radial basis…

We develop a new relativistic radiation hydrodynamics code based on the Monte-Carlo algorithm. In this code, we implement a new scheme to achieve the second-order accuracy in time in the limit of a large packet number for solving the…