相关论文: Density Estimators in Particle Hydrodynamics: DTFE…

We present a data-driven method for reconstructing the galactic acceleration field from phase-space measurements of stellar streams. Our approach is based on a flexible and differentiable fit to the stream in phase-space, enabling a direct…

Stochastic processes, in the form of stochastic differential equations (SDEs), integrate stochastic elements to account for the inherent randomness in sediment particle trajectories in an open-channel turbulent flow. Accordingly, a…

By partitioning the electron density into subsystem contributions, the Frozen Density Embedding (FDE) formulation of subsystem DFT has recently emerged as a powerful tool for reducing the computational scaling of Kohn--Sham DFT. To date,…

We re-adapt a spectral renormalization method, introduced in nonlinear optics, to solve the Kohn-Sham (KS) equations of density functional theory (DFT), with a focus on functionals based on the strictly-correlated electrons (SCE) regime,…

In the present work, we introduce a Self-Consistent Density-Functional Embedding technique, which leaves the realm of standard energy-functional approaches in Density Functional Theory and targets directly the density-to-potential mapping…

A weakly conducting liquid droplet immersed in another leaky dielectric liquid can exhibit rich dynamical behaviors under the effect of an applied electric field. Depending on material properties and field strength, the nonlinear coupling…

A theory of flow stress, including the yield strength is proposed for the class of PC materials with equilibrium defect structure (EDS), which is established in the PC material after series of $N_0$ similar treatments of severe plastic…

We present our novel evolutionary algorithm for generating Special Quasirandom Structures (SQS) designed to optimize the computational efficiency of Density Functional Theory (DFT) computations. Operating on the premise that symmetry…

Eulerian smoothed particle hydrodynamics (Eulerian SPH) is considered as a potential meshless alternative to a traditional Eulerian mesh-based method, i.e. finite volume method (FVM), in computational fluid dynamics (CFD). While researchers…

We present DeepFDM, a differentiable finite-difference framework for learning spatially varying coefficients in time-dependent partial differential equations (PDEs). By embedding a classical forward-Euler discretization into a convolutional…

We introduce a novel learning-based, visibility-aware, surface reconstruction method for large-scale, defect-laden point clouds. Our approach can cope with the scale and variety of point cloud defects encountered in real-life Multi-View…

Over this past decade, we combined the idea of stochastic resolution of identity with a variety of electronic structure methods. In our stochastic Kohn-Sham DFT method, the density is an average over multiple stochastic samples, with…

Computational spectral imaging (CSI) achieves real-time hyperspectral imaging through co-designed optics and algorithms, but typical CSI methods suffer from a bulky footprint and limited fidelity. Therefore, Spectral Deconvolution imaging…

We introduce TetWeave, a novel isosurface representation for gradient-based mesh optimization that jointly optimizes the placement of a tetrahedral grid used for Marching Tetrahedra and a novel directional signed distance at each point.…

This paper presents an overview and introduction to Smoothed Particle Hydrodynamics and Magnetohydrodynamics in theory and in practice. Firstly, we give a basic grounding in the fundamentals of SPH, showing how the equations of motion and…

In the last 50 years, equilibrium density functional theory (DFT) has been proven to be a powerful, versatile and predictive approach for the statics and structure of classical particles. This theory can be extended to the nonequilibrium…

SDF-based differential rendering frameworks have achieved state-of-the-art multiview 3D shape reconstruction. In this work, we re-examine this family of approaches by minimally reformulating its core appearance model in a way that…

Radiography is often used to probe complex, evolving density fields in dynamic systems and in so doing gain insight into the underlying physics. This technique has been used in numerous fields including materials science, shock physics,…

We present an efficient computational approach to perform real-space electronic structure calculations using an adaptive higher-order finite-element discretization of Kohn-Sham density-functional theory (DFT). To this end, we develop an…

Stochastic differential equations (SDEs) are of utmost importance in various scientific and industrial areas. They are the natural description of dynamical processes whose precise equations of motion are either not known or too expensive to…