Related papers: MaxwellLink: A unified framework for self-consiste…
This technical note describes the physical model, numerical implementation, and validation of multilevel atomic media for lasers and saturable absorbers in Meep: a free/open-source finite-difference time-domain (FDTD) software package for…
We present the first quantum-hardware implementation of a Hamiltonian simulation algorithm that produces signed vector-field solutions to the time-domain Maxwells equations using a Schrodingerisation-based approach. The electromagnetic…
As multimodal large language models (MLLMs) advance, their large-scale architectures pose challenges for deployment in resource-constrained environments. In the age of large models, where energy efficiency, computational scalability and…
This paper describes a deep-SDM framework, MALPOLON. Written in Python and built upon the PyTorch library, this framework aims to facilitate training and inferences of deep species distribution models (deep-SDM) and sharing for users with…
Large language models (LLMs) have demonstrated broad utility across molecular domains, spanning drug discovery and materials design. Analyzing LLMs' latent representations is crucial for elucidating their underlying mechanisms, improving…
Machine learning potentials (MLPs) have advanced rapidly and show great promise to transform molecular dynamics (MD) simulations. However, most existing software tools are tied to specific MLP architectures, lack integration with standard…
We present the Open MatSci ML Toolkit: a flexible, self-contained, and scalable Python-based framework to apply deep learning models and methods on scientific data with a specific focus on materials science and the OpenCatalyst Dataset. Our…
Subatomic particle track reconstruction (tracking) is a vital task in High-Energy Physics experiments. Tracking is exceptionally computationally challenging and fielded solutions, relying on traditional algorithms, do not scale linearly.…
As we rapidly approach the frontiers of ultra large computing resources, software optimization is becoming of paramount interest to scientific application developers interested in efficiently leveraging all available on-Node computing…
Molecular Dynamics (MD) codes predict the fundamental properties of matter by following the trajectories of a collection of interacting model particles. To exploit diverse modern manycore hardware, efficient codes must use all available…
FORM, a symbolic manipulation system, has been widely used in a lot of calculations for High Energy Physics due to its high performance and fficient design. Mathematica, another computational software program, has also widely been used, but…
We introduce a general-purpose framework for interconnecting scientific simulation programs using a homogeneous, unified interface. Our framework is intrinsically parallel, and conveniently separates all component numerical modules in…
A unified framework for the characterization of continuous electromagnetic (EM) manifolds for arbitrary multipleinput multiple-output (MIMO) system geometries is presented. The EM manifold refers to the set of all physically realizable…
Biological multimodal large language models (MLLMs) have emerged as powerful foundation models for scientific discovery. However, existing models are specialized to a single modality, limiting their ability to solve inherently cross-modal…
The self-consistent modeling of vacuum polarization due to virtual electron-positron fluctuations is of relevance for many near term experiments associated with high intensity radiation sources and represents a milestone in describing…
Time-series learning is the bread and butter of data-driven *clinical decision support*, and the recent explosion in ML research has demonstrated great potential in various healthcare settings. At the same time, medical time-series problems…
Building precise simulations of the real world and invoking numerical solvers to answer quantitative problems is an essential requirement in engineering and science. We present FEABench, a benchmark to evaluate the ability of large language…
The $\ell$FEM MATLAB package provides a simple, efficient, and flexible implementation of isoparametric finite elements in bulk domains and on surfaces. The finite element matrix assemblies are based on MATLAB's paged operators and…
Predicting the docking between proteins and ligands is a crucial and challenging task for drug discovery. However, traditional docking methods mainly rely on scoring functions, and deep learning-based docking approaches usually neglect the…
A new method that solves concurrently the multi-fluid and Maxwell's equations has been developed for plasma simulations. By calculating the stress tensor in the multi-fluid momentum equation by means of computational particles moving in a…