相关论文: Computational Analysis of Dispersive and Nonlinear…
We propose a new formula for the nonlinear viscous numerical flux and extend the direct discontinuous Galerkin method with interface correction (DDGIC) of Liu and Yan (H. Liu, J. Yan, The direct discontinuous Galerkin (DDG) method for…
Reaction-Diffusion (RD) systems provide a computational framework that governs many pattern formation processes in nature. Current RD system design practices boil down to trial-and-error parameter search. We propose a differentiable…
Proposing new ways to organize carbon in 2D nanomaterials has been a relevant strategy in the search for systems with targeted properties for different applications. One focus is the study of fully sp$^2$ non-graphitic networks, with…
In this paper, we first consider linear 2D and 3D convection-diffusion-reaction equations $-\nabla\cdot (\kappa \nabla u) + {\bm v} \cdot \nabla u + \lambda u = \phi$ and $u_t - \nabla\cdot (\kappa \nabla u) + {\bm v} \cdot \nabla u +…
Heterostructures involving two-dimensional (2D) transition metal dichalcogenides and other materials such as graphene have a strong potential to be the fundamental building block of many electronic and opto-electronic applications. The…
This paper presents an analytical framework for the analysis of time-varying metal-based metamaterials. Concretely, we particularize the study to time-modulated metal-air interfaces embedded between two different semi-infinite media that…
Extracting reliable information on certain physical properties of materials, like thermal behavior, such as thermal transport, which can be very computationally demanding. Aiming to overcome such difficulties in the particular case of…
In this paper, a novel surrogate model based on the Grassmannian diffusion maps (GDMaps) and utilizing geometric harmonics is developed for predicting the response of engineering systems and complex physical phenomena. The method utilizes…
The thermophysical properties of supported and free-standing nanomaterials would be different due to the substrate effect. To determine the thermophysical properties of supported 2D nanomaterials, this paper developed a two-step…
Dynamic 4D Gaussian Splatting (4DGS) effectively extends the high-speed rendering capabilities of 3D Gaussian Splatting (3DGS) to represent volumetric videos. However, the large number of Gaussians, substantial temporal redundancies, and…
Denoising diffusion models have become ubiquitous for generative modeling. The core idea is to transport the data distribution to a Gaussian by using a diffusion. Approximate samples from the data distribution are then obtained by…
By performing high-throughput first-principles calculations combined with a semiempirical van der Waals dispersion correction, we have screened 74 direct- and 185 indirect-gap two dimensional (2D) nonmagnetic semiconductors from near 1000…
Acquiring reliable microstructure datasets is a pivotal step toward the systematic design of materials with the aid of integrated computational materials engineering (ICME) approaches. However, obtaining three-dimensional (3D)…
Atomically thin two dimensional (2D) layered materials have emerged as a new class of material for nanoelectromechanical systems (NEMS) due to their extraordinary mechanical properties and ultralow mass density. Among them, graphene has…
We introduce a generative learning framework to model high-dimensional parametric systems using gradient guidance and virtual observations. We consider systems described by Partial Differential Equations (PDEs) discretized with structured…
3D Gaussian Splatting (3DGS) has emerged as a mainstream solution for novel view synthesis and 3D reconstruction. By explicitly encoding a 3D scene using a collection of Gaussian kernels, 3DGS achieves high-quality rendering with superior…
Tip-Enhanced Raman Spectroscopy (TERS) can be used to make nanoscale spatial measurements of 2D materials, such as graphene and transition metal dichalcogenides (TMDs). The TERS theory introduced in [Phys. Rev. X 4, 031054 (2014)], however,…
Efficient exploration of the vast chemical space is a fundamental challenge in materials design and discovery, particularly for designing functional inorganic crystalline materials with targeted properties. Diffusion-based generative models…
We present an approach based on density-functional theory for the calculation of fundamental gaps of both finite and periodic two-dimensional (2D) electronic systems. The computational cost of our approach is comparable to that of total…
Active nanophotonic materials that can emulate and adapt between many different spectral profiles -- with high fidelity and over a broad bandwidth -- could have a far-reaching impact, but are challenging to design due to a high-dimensional…