Related papers: udkm1Dsim -- A Python toolbox for simulating 1D ul…
We study the dynamical correlation functions and heat conduction for the simplest model of quasi one-dimensional (1d) dielectric crystal i.e. a chain of classical particles coupled by quadratic and cubic intersite potential. Even in the…
Automated searches for strong gravitational lensing in optical imaging survey datasets often employ machine learning and deep learning approaches. These techniques require more example systems to train the algorithms than have presently…
This study presents a generative optimization framework based on a guided denoising diffusion probabilistic model (DDPM) that leverages surrogate gradients to generate heat sink designs minimizing pressure drop while maintaining surface…
This document is a hands-on, comprehensive guide to deep learning in the realm of physical simulations. Rather than just theory, we emphasize practical application: every concept is paired with interactive Jupyter notebooks to get you up…
In this paper, we apply an analytical model [V.V. Kulagin et al., Phys. Plasmas 14,113101 (2007)] to describe the acceleration of an ultra-thin electron layer by a schematic single-cycle laser pulse and compare with one-dimensional…
In this research, we do a software writing in Python to calculate the efforts, bending moments and deformations in beams of different materials. This computational tool, that we developed, is of great help in area of computational physical,…
We develop an algorithm suitable for parallel molecular dynamics simulations in $d$ spatial dimensions and describe its implementation in C++. All routines work in arbitrary $d$; the maximum simulated $d$ is limited only by available…
Thermal simulation plays a fundamental role in the thermal design of integrated circuits, especially 3D ICs. Current simulators require significant runtime for high-resolution simulation, and dismiss the complex nonlinear thermal effects,…
Cold atoms have become a powerful platform for quantum-simulating lattice gauge theories in higher spatial dimensions. However, such realizations have been restricted to the lowest possible truncations of the gauge field, which limit the…
The Open Knowledgebase of Interatomic Models (OpenKIM) is an NSF Science Gateway that archives fully functional computer implementations of interatomic models (potentials and force fields) and simulation codes that use them to compute…
Denoising diffusion probabilistic models (DDPMs) have achieved high quality image generation without adversarial training, yet they require simulating a Markov chain for many steps to produce a sample. To accelerate sampling, we present…
The NTMpy code package allows for simulating the one-dimensional thermal response of multilayer samples after optical excitation, as in a typical pump-probe experiment. Several Python routines are combined and optimized to solve coupled…
This note describes a technical overview of UXsim, an open source macro/mesoscopic traffic simulator in pure Python programming language. UXsim is based on Kinematic Wave model (more specifically, mesoscopic version of Newell's simplified…
Modern successes of diffusion models in learning complex, high-dimensional data distributions are attributed, in part, to their capability to construct diffusion processes with analytic transition kernels and score functions. The…
We present an open source Python 3 library aimed at practitioners of molecular simulation, especially Monte Carlo simulation. The aims of the library are to facilitate the generation of simulation data for a wide range of problems; and to…
Generative modeling of crystalline materials using diffusion models presents a series of challenges: the data distribution is characterized by inherent symmetries and involves multiple modalities, with some defined on specific manifolds.…
We introduce a lattice dynamics package which calculates elastic, thermodynamic and thermal transport properties of crystalline materials from data on their force and potential energy as a function of atomic positions. The data can come…
Atomistic simulations are an important tool in materials modeling. Interatomic potentials (IPs) are at the heart of such molecular models, and the accuracy of a model's predictions depends strongly on the choice of IP. Uncertainty…
Surface flashover across insulator in vacuum is a destructive plasma discharge which undermines the behaviors of a range of applications in electrical engineering, particle physics, space engineering, etc. This phenomenon is widely modeled…
PyLlama is a handy Python toolkit to compute the electromagnetic reflection and transmission properties of arbitrary multilayered linear media, including the case of anisotropy. Relying on a $4 \times 4$-matrix formalism, PyLlama implements…