Related papers: Real-time dynamics with bead-Fourier path integral…
We review recent developments in the theory of quantum dynamics in ultra-cold atomic physics, including exact techniques, but focusing on methods based on phase-space mappings that are appli- cable when the complexity becomes exponentially…
Signal decomposition is an effective tool to assist the identification of modal information in time-domain signals. Two signal decomposition methods, including the empirical wavelet transform (EWT) and Fourier decomposition method (FDM),…
Quantum computers hold great promise for arriving at exact simulations of nuclear dynamical processes (e.g., scattering and reactions) that are paramount to the study of nuclear matter at the limit of stability and to explaining the…
Drug discovery remains time-consuming, labor-intensive, and expensive, often requiring years and substantial investment per drug candidate. Predicting compound-protein interactions (CPIs) is a critical component in this process, enabling…
In this paper we describe a computational model for the simulation of fluid-structure interaction problems based on a fictitious domain approach. We summarize the results presented over the last years when our research evolved from the…
The molecular simulations solve the equation of motion of molecular systems, making 3D shapes of molecules four-dimensional by adding the time coordinate. These methods have a great potential in drug discovery because they can realistically…
We introduce a framework for model reduction of chain models for dissipative particle dynamics (DPD) simulations, where the characteristic size of the chain, pressure, density, and temperature are preserved. The proposed methodology reduces…
Many real-world systems modeled using differential equations involve unknown or uncertain parameters. Standard approaches to address parameter estimation inverse problems in this setting typically focus on estimating constants; yet some…
In contrast to the classical cyclic prefix (CP)-OFDM, the time domain synchronous (TDS)-OFDM employs a known pseudo noise (PN) sequence as guard interval (GI). Conventional channel estimation methods for TDS-OFDM are based on the…
Generic quantum-circuit simulation appears intractable for conventional computers and may be unnecessary because useful quantum circuits exhibit significant structure that can be exploited during simulation. For example, Gottesman and Knill…
The theory to reconstruct the atomistic-level chain diffusion from the accelerated dynamics that is measured in mesoscale simulations of the coarse-grained system, is applied here to the dynamics of cis-1,4-Polybutadiene melts where each…
Quantum simulators have made a remarkable progress towards exploring the dynamics of many-body systems, many of which offer a formidable challenge to both theoretical and numerical methods. While state-of-the-art quantum simulators are in…
Conventional molecular dynamics simulations macromolecules require long computational times because the most interesting motions are very slow compared with the fast oscillations of bond lengths and bond angles that limit the integration…
Physics-informed neural networks (PINNs) have great potential for flexibility and effectiveness in forward modeling and inversion of seismic waves. However, coordinate-based neural networks (NNs) commonly suffer from the "spectral bias"…
Path integrals developed by Richard Feynman have been an important tool in Physics in studying quantum field theory. In mathematics, it has also been widely used in providing formal proofs in the study of Index theorem and asymptotic…
Computational fluid dynamics (CFD) simulations of viscous fluids described by the Navier-Stokes equations are considered. Depending on the Reynolds number of the flow, the Navier-Stokes equations may exhibit a highly nonlinear behavior. The…
Numerical simulation of moving immersed solid bodies in fluids is now practiced routinely following pioneering work of Peskin and co-workers on immersed boundary method (IBM), Glowinski and co-workers on fictitious domain method (FDM), and…
We recently demonstrated the reduction of the unified continuum and variational multiscale formulation to a computationally efficient fluid-structure interaction (FSI) formulation via three sound modeling assumptions pertaining to the…
The proper time path integral representation is derived explicitly for an arbitrary $n$-point amplitude in QCD. In the standard perturbation theory the formalism allows to sum up the leading subseries, e.g. yielding double-logarithm Sudakov…
Reliable numerical computation of quantum dynamics is a fundamental challenge when the long-ranged quantum entanglement plays essential roles as in the cases governed by quantum criticality in strongly correlated systems. Here we apply a…