Related papers: ChemGen: Code Generation for Multispecies Chemical…
Simulation plays a crucial role in the development of autonomous vehicles (AVs) due to the potential risks associated with real-world testing. Although significant progress has been made in the visual aspects of simulators, generating…
This paper presents a new C++ framework, DELPHES, performing a fast multipurpose detector response simulation. The simulation includes a tracking system, embedded into a magnetic field, calorimeters and a muon system, and possible very…
Cyber-physical systems (CPS) combine cyber and physical components engineered to make decisions and interact within dynamic environments. Ensuring the safety of CPS is of great importance, requiring extensive testing across diverse and…
Decades accumulation of theory simulations lead to boom in material database, which combined with machine learning methods has been a valuable driver for the data-intensive material discovery, i.e., the fourth research paradigm. However,…
We present mechanoChemML, a machine learning software library for computational materials physics. mechanoChemML is designed to function as an interface between platforms that are widely used for machine learning on one hand, and others for…
Quantum computers have the potential to simulate chemical systems beyond the capability of classical computers. Recent developments in hybrid quantum-classical approaches enable the determinations of the ground or low energy states of…
The computational intensity of detector simulation and event reconstruction poses a significant difficulty for data analysis in collider experiments. This challenge inspires the continued development of machine learning techniques to serve…
Chemical kinetic models are an essential component in the development and optimisation of combustion devices through their coupling to multi-dimensional simulations such as computational fluid dynamics (CFD). Low-dimensional kinetic models…
Free energy calculations are at the heart of physics-based analyses of biochemical processes. They allow us to quantify molecular recognition mechanisms, which determine a wide range of biological phenomena from how cells send and receive…
We investigate the use of tool-using coding agents to automate end-to-end workflows in the open-source CFD package OpenFOAM. Building on general-purpose coding agent interfaces, we introduce a lightweight configuration that guides an agent…
The high cost of high-resolution computational fluid/flame dynamics (CFD) has hindered its application in combustion related design, research and optimization. In this study, we propose a new framework for turbulent combustion simulation…
Generative modeling of single-cell RNA-seq data is crucial for tasks like trajectory inference, batch effect removal, and simulation of realistic cellular data. However, recent deep generative models simulating synthetic single cells from…
Recently, significant advancements have been made in diffusion-based visual text generation models. Although the effectiveness of these methods in visual text rendering is rapidly improving, they still encounter challenges such as…
Unlike most classical algorithms that take an input and give the solution directly as an output, quantum algorithms produce a quantum circuit that works as an indirect solution to computationally hard problems. In the full quantum computing…
The high cost of chemistry integration is a significant computational bottleneck for realistic reactive-flow simulations using operator splitting. Here we present a methodology to accelerate the solution of the chemical kinetic ordinary…
Chemical reactions are the fundamental building blocks of drug design and organic chemistry research. In recent years, there has been a growing need for a large-scale deep-learning framework that can efficiently capture the basic rules of…
We propose the first multi agent framework for computational fluid dynamics that enables fully automated, end to end simulations directly from natural language queries. The approach integrates four specialized agents Pre processing, Prompt…
4D content generation aims to create dynamically evolving 3D content that responds to specific input objects such as images or 3D representations. Current approaches typically incorporate physical priors to animate 3D representations, but…
Computational Fluid Dynamics (CFD) is an essential simulation tool in engineering, yet its steep learning curve and complex manual setup create significant barriers. To address these challenges, we introduce Foam-Agent, a multi-agent…
Chemistry plays a key role in many aspects of astrophysical fluids. Atoms and molecules are agents for heating and cooling, determine the ionization fraction, serve as observational tracers, and build the molecular foundation of life. We…