Related papers: High-performance linear-scaling electronic structu…
Using a photonic quantum computer for boson sampling has been demonstrated a tremendous advantage over classical supercomputers. It is highly desirable to develop boson sampling algorithms for realistic scientific problems. In this work, we…
We present a method which enables solid-state density functional theory calculations to be applied to systems of almost unlimited size. Computations of physical effects up to the micron length scale but which nevertheless depend on the…
Most semantic segmentation models treat semantic segmentation as a pixel-wise classification task and use a pixel-wise classification error as their optimization criterions. However, the pixel-wise error ignores the strong dependencies…
Maximum likelihood estimation (MLE) is a well-known estimation method used in many robotic and computer vision applications. Under Gaussian assumption, the MLE converts to a nonlinear least squares (NLS) problem. Efficient solutions to NLS…
Since numbers in the computer are represented with a fixed number of bits, loss of accuracy during calculation is unavoidable. At high precision where more bits (e.g. 64) are allocated to each number, round-off errors are typically small.…
Accurate land cover segmentation of spectral images is challenging and has drawn widespread attention in remote sensing due to its inherent complexity. Although significant efforts have been made for developing a variety of methods, most of…
Using the Horizon-AGN hydrodynamical simulation and self-organising maps (SOMs), we show how to compress the complex data structure of a cosmological simulation into a 2-d grid which is much easier to analyse. We first verify the tight…
A massively parallel order-N electronic structure theory was constructed by an interdisciplinary research between physics, applied mathematics and computer science. (1) A high parallel efficiency with ten-million-atom nanomaterials was…
Quantum lithography achieves phase super-resolution using fragile, experimentally challenging entangled states of light. We propose a scalable scheme for creating features narrower than classically achievable, with reduced use of quantum…
We investigate the parallel one-level overlapping Schwarz method for solving finite element discretization of high-frequency Helmholtz equations. The resulting linear systems are large, indefinite, ill-conditioned, and complex-valued. We…
Topological photonics and acoustics have recently garnered wide research interests for their topological ability to manipulate the light and sound at surfaces. Conventionally, the supercell technique is the standard approach to calculating…
We present an alternative to the conventional matrix product state representation, which allows us to avoid the explicit local Hilbert space truncation many numerical methods employ. Utilising chain mappings corresponding to linear and…
Accurate and efficient wave-optics simulation of partially coherent light transport systems is critical for the design of advanced optical systems, ranging from computational lithography to diffraction-limited storage rings (DLSR). However,…
Exascale computing promises quantities of data too large to efficiently store and transfer across networks in order to be able to analyze and visualize the results. We investigate Compressive Sensing (CS) as a way to reduce the size of the…
Stochastic multi-scale modeling and simulation for nonlinear thermo-mechanical problems of composite materials with complicated random microstructures remains a challenging issue. In this paper, we develop a novel statistical higher-order…
We present low-dimensional functionalization and characterization of electron density of states (DOS) using highly correlated/precisely guided proton beam trajectories and a silicon nanocrystal as a target, representing at a same time a…
We propose a novel algorithm based on inexact GMRES methods for linear response calculations in density functional theory. Such calculations require iteratively solving a nested linear problem $\mathcal{E} \delta\rho = b$ to obtain the…
To leverage the redundancy between the electronic structure computed at each step of first-principles molecular dynamics, we present a data-driven modeling framework for Kohn-Sham Density Functional Theory that bypasses the explicit…
In this work, we have developed a multiscale computational algorithm to couple finite element method with an open source molecular dynamics code --- the Large scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) --- to perform…
Subsurface Charge Accumulation imaging is a cryogenic scanning probe technique that has recently been used to spatially probe incompressible strips formed in a two-dimensional electron system (2DES) at high magnetic fields. In this paper,…