Related papers: AlphaPEM: an open-source dynamic 1D physics-based …
We introduce the particle-hole map (PHM), a visualization tool to analyze electronic excitations in molecules in the time or frequency domain, to be used in conjunction with time-dependent density-functional theory (TDDFT) or other ab…
A new field of numerical astrophysics is introduced which addresses the solution of large, multidimensional structural or slowly-evolving problems (rotating stars, interacting binaries, thick advective accretion disks, four dimensional…
In this work a novel method for the analysis with trimmed CAD surfaces is presented. The method involves an additional mapping step and the attraction stems from its sim- plicity and ease of implementation into existing Finite Element (FEM)…
General Matrix Multiplication (GEMM) is a fundamental operation in many scientific workloads, signal processing, and particularly deep learning. It is often a bottleneck for performance and energy efficiency, especially in edge environments…
High Energy Physics (HEP) experiments are making increasing use of GPUs and GPU dominated High Performance Computer facilities. Both the software and hardware of these systems are rapidly evolving, creating challenges for experiments to…
A major challenge in light-matter simulations is bridging the disparate time and length scales of electrodynamics and molecular dynamics. Current computational approaches often rely on heuristic approximations of either the electromagnetic…
Processing large-scale graph datasets is computationally intensive and time-consuming. Processor-centric CPU and GPU architectures, commonly used for graph applications, often face bottlenecks caused by extensive data movement between the…
The Finite Element Method (FEM) is a powerful modeling tool for predicting soft robots' behavior, but its computation time can limit practical applications. In this paper, a learning-based approach based on condensation of the FEM model is…
Dynamic tetrahedral simulation pipelines rebuild topology-dependent solver state after every fracture, refinement, or merge event - discarding structural continuity that survives each edit and spending global work on what are often local…
In recent years, the development of Artificial Intelligence (AI) has shown tremendous potential in diverse areas. Among them, reinforcement learning (RL) has proven to be an effective solution for learning intelligent control strategies. As…
Producing useful electrical work in consuming chemical energy, the fuel cell have to reject heat to its surrounding. However, as it occurs for any other type of engine, this thermal energy cannot be exchanged in an isothermal way in finite…
The $hp$-adaptive finite element method (FEM) - where one independently chooses the mesh size ($h$) and polynomial degree ($p$) to be used on each cell - has long been known to have better theoretical convergence properties than either $h$-…
For an educational purpose we develop the Python package AutoFreeFem which generates all ingredients for shape optimization with non-linear multi-physics in FreeFEM++ and also outputs the expressions for use in LaTex. As an input, the…
Astrochemical modeling is needed for understanding the formation and evolution of interstellar molecules, and for extracting physical information from spectroscopic observations of interstellar clouds. The modeling usually involves handling…
A novel concept called Air-Breathing Electric Propulsion proposes to fly satellites at altitudes in the range 180-250 km, since this would have some advantages for the performance of radio communication and Earth observation equipment. The…
In this paper we present AWEsome (Airborne Wind Energy Standardized Open-source Model Environment), a test platform for airborne wind energy systems that consists of low-cost hardware and is entirely based on open-source software. It can…
Large computer models are ubiquitous in the earth sciences. These models often have tens or hundreds of tuneable parameters and can take thousands of core-hours to run to completion while generating terabytes of output. It is becoming…
This paper introduces JAX-FEM, an open-source differentiable finite element method (FEM) library. Constructed on top of Google JAX, a rising machine learning library focusing on high-performance numerical computing, JAX-FEM is implemented…
A novel embedded atom method (EAM) potential for the Xi-phases of Al-Pd-Mn has been determined with the force-matching method. Different combinations of analytic functions were tested for the pair and transfer part. The best results are…
Molecular dynamics (MD) simulations enable the description of ma- terial properties and processes with atomistic detail by numerically solv- ing the time evolution of every atom in the system. We introduce Poly- merModeler, a…