Related papers: Hierarchical Wavepacket Propagation Framework via …
To solve the many-boson Schr\"odinger equation we utilize the Multiconfigurational time-dependent Hartree method for bosons (MCTDHB). To be able to attack larger systems and/or to propagate the solution for longer times, we implement a…
The purpose of the present Comment is to point out the connection between an approach to spawning and regularization that was recently introduced by D. Mendive-Tapia and H.-D. Meyer [J. Chem. Phys. 153, 234114 (2020)] in the context of the…
Deep Multi-Task Learning (DMTL) has been widely studied in the machine learning community and applied to a broad range of real-world applications. Searching for the optimal knowledge sharing in DMTL is more challenging for sequential…
We present a hierarchical approach for enhancing the robustness of numerical solvers for modelling radiative MHD flows in multi-dimensions. This approach is based on clustering the entries of the global Jacobian in a hierarchical manner…
The multi-layer multi-configurational time-dependent Hartree (MCTDH) in optimized second quantization representation (oSQR) approach combines the tensor contraction scheme of the multi-layer MCTDH approach with the use of an optimized…
By simulating the real-time multielectron wavefunction with the multi-configurational time-dependent Hartree-Fock (MCTDHF) approach, we conduct an \textit{ab initio} study of the single-photon ionization process of a body-fixed water…
Most point process models for earthquakes currently in the literature assume the magnitude distribution is i.i.d. potentially hindering the ability of the model to describe the main features of data sets containing multiple earthquake…
We present a general computational protocol for the evaluation of extensive molecular response properties in complex environments within a polarizable quantum embedding framework. The approach extends multilevel density functional theory…
We present an implementation of a time-dependent multiconfiguration self-consistent-field (TD-MCSCF) method [R. Anzaki et al., Phys. Chem. Chem. Phys. 19, 22008 (2017)] with the full configuration interaction expansion for coupled…
A radiomap, representing the spatial distribution of wireless signal strength within a specific region, is fundamentally determined by the local propagation channel and finds extensive applications in network planning and optimization. The…
HII regions powered by ionizing radiation from massive stars drive the dynamical evolution of the interstellar medium. Fast radiative transfer methods for incorporating photoionization effects are thus essential in astrophysical…
While superfluidity is accurately grasped with a state that explicitly breaks the particle number symmetry, a precise description of phenomena like the particle transfer during heavy-ion reactions can only be achieved by considering systems…
We investigate the performance of the range-separated hybrid (RSH) scheme, which combines long-range Hartree-Fock (HF) and a short-range density-functional approximation (DFA), for calculating photoexcitation/photoionization spectra of the…
Multiscale synergy -- the interplay of a system's distinct characteristic length, time, and energy scales -- is becoming a unifying thread across many contemporary branches of science. Ranging from moir\'e and super-moir\'e materials and…
We develop and analyze a lattice difference equation (LDE) framework to model the spatial dynamics of invasion in populations. This framework extends beyond classical integro-difference and reaction-diffusion models by incorporating spatial…
We present a mathematical study for the development of Multiple Sclerosis in which a spatio-temporal kinetic { theory} model describes, at the mesoscopic level, the dynamics of a high number of interacting agents. We consider both…
Theoretical and numerical studies of wave-packet propagation are presented to analyze the time varying 2D mode structures of electrostatic fluctuations in tokamak plasmas, using general flux coordinates. Instead of solving the 2D wave…
Hierarchical architectures are critical to the scalability of reinforcement learning methods. Current hierarchical frameworks execute actions serially, with macro-actions comprising sequences of primitive actions. We propose a novel…
We study the equilibration and relaxation processes within the time-dependent Hartree-Fock approach using the Wigner distribution function. On the technical side we present a geometrically unrestricted framework which allows us to calculate…
We introduce a full-Lagrangian heterogeneous multiscale method (LHMM) to model complex fluids with microscopic features that can extend over large spatio-temporal scales, such as polymeric solutions and multiphasic systems. The proposed…