相关论文: M-SPARC: MATLAB-Simulation Package for Ab-initio R…
We summarize a series of numerical experiments of collisional dynamics in dense stellar systems such as globular clusters (GCs) and in weakly collisional plasmas using a novel simulation technique, the so-called Multi-particle collision…
Machine learning is used to generate empirical pseudopotentials that characterize the local screened interactions in the Kohn-Sham Hamiltonian. Our approach incorporates momentum-range-separated rotation-covariant descriptors to capture…
The developments of quantum computing algorithms and experiments for atomic scale simulations have largely focused on quantum chemistry for molecules, while their application in condensed matter systems is scarcely explored. Here we present…
We present a time-domain iteration scheme for solving the Dynamical Mean-Field Theory (DMFT) self-consistent equations using retarded Green's functions in real time. Unlike conventional DMFT approaches that operate in imaginary time or…
Simulation techniques are providing with each passing day a deeper insight into the structure and properties of materials. Two main obstacles appear for the cooperation of simulation and experiment: on the one hand, the frequent lack of a…
In this paper we introduce MATMPC, an open source software built in MATLAB for nonlinear model predictive control (NMPC). It is designed to facilitate modelling, controller design and simulation for a wide class of NMPC applications. MATMPC…
Microdisk or microring modulators (MDMs or MRMs) realize compact electro-optic modulation in active silicon photonics (SiP) foundry platforms. A key advantage of these resonant modulators is that they readily implement dense wavelength…
The context of this work is the design of a software, called MEMSALab, dedicated to the automatic derivation of multiscale models of arrays of micro- and nanosystems. In this domain a model is a partial differential equation. Multiscale…
Quantum embedding schemes have the potential to significantly reduce the computational cost of first principles calculations, whilst maintaining accuracy, particularly for calculations of electronic excitations in complex systems. In this…
The aim of this paper is to describe a Matlab toolbox, called $\mu$-diff, for modeling and numerically solving two-dimensional complex multiple scattering by a large collection of circular cylinders. The approximation methods in $\mu$-diff…
Orbital-free density functional theory (OF-DFT) runs at low computational cost that scales linearly with the number of simulated atoms, making it suitable for large-scale material simulations. It is generally considered that OF-DFT strictly…
A system-on-chip (SoC) photonic-electronic linear-algebra accelerator with the features of wavelength-division-multiplexing (WDM) based broadband photodetections and high-dimensional matrix-inversion operations fabricated in advanced…
Recent technical advances in collecting spatial data have been increasing the demand for methods to analyze large spatial datasets. The statistical analysis for these types of datasets can provide useful knowledge in various fields.…
Recent years have seen a huge development in spatial modelling and prediction methodology, driven by the increased availability of remote-sensing data and the reduced cost of distributed-processing technology. It is well known that…
The practical success of density functional theory (DFT) is largely credited to the Kohn-Sham approach, which enables the exact calculation of the non-interacting electron kinetic energy via an auxiliary noninteracting system. Yet, the…
Pairing the accuracy of Kohn-Sham density-functional framework with the efficiency of a stochastic algorithmic approach, mixed stochastic-deterministic Density Functional Theory (mDFT) achieves a favorable computational scaling with system…
We propose a non-lattice simulation for studying supersymmetric matrix quantum mechanics in a non-perturbative manner. In particular, our method enables us to put M theory on a computer based on its matrix formulation proposed by Banks,…
One of the potential applications of a quantum computer is solving quantum chemical systems. It is known that one of the fastest ways to obtain somewhat accurate solutions classically is to use approximations of density functional theory.…
The dynamics of disordered nuclear spin ensembles are the subject of nuclear magnetic resonance studies. Due to the through-space long-range dipolar interaction generically many spins are involved in the time evolution, so that exact brute…
For the self-consistent description of various plasma sources operated in the low-pressure (nonlocal, kinetic) regime, the Particle-In-Cell simulation approach, combined with the Monte Carlo treatment of collision processes (PIC/MCC), has…