相关论文: Dynamic Chemical Model for H2/O2 Combustion Develo…
A novel method for analyzing counterflow diffusion flames, inspired by Zurada's sensitivity approach for neural networks, is proposed to identify critical species influencing the heat release rate in combustion. By further analyzing…
Learning effective reinforcement learning (RL) policies to solve real-world complex tasks can be quite challenging without a high-fidelity simulation environment. In most cases, we are only given imperfect simulators with simplified…
Thermal analysis is crucial in 3D-IC design due to increased power density and complex heat dissipation paths. Although operator learning frameworks such as DeepOHeat~\cite{liu2023deepoheat} have demonstrated promising preliminary results…
We propose a quantum Otto heat engine that employs a finite-size Dicke-Stark model as the working substance. In the extended coherent state space, the complete energy spectrum and eigenstates of this model are obtained through numerical…
Scientific workflows have become essential for orchestrating complex computational processes across distributed resources, managing large datasets, and ensuring reproducibility in modern research. The Workflows Community Summit 2025, held…
We examine the behavior of the diffusion coefficient of the ST2 model of water over a broad region of the phase diagram via molecular dynamics simulations. The ST2 model has an accessible liquid-liquid transition between low-density and…
Thermal models have proven to be an useful and simple tool used to make theoretical predictions and data analysis in relativistic and ultra-relativistic heavy ion collisions. A new version of these models is presented here, incorporating a…
Characterizing temperate exoplanet atmospheres remains challenging due to their small size and low temperatures. Recent JWST observations provide valuable data, but their interpretation has led to diverging conclusions. Complementary…
Indoor air quality (IAQ) forecasting plays a critical role in safeguarding occupant health, ensuring thermal comfort, and supporting intelligent building control. However, predicting future concentrations of key pollutants such as carbon…
Atomic-scale modeling has advanced rapidly through integration of machine learning, yet a key bottleneck remains. Even with an accurate potential energy surface and a clear target material, we still lack a practical atomistic dynamics…
Temperature is a fundamental regulator of chemical and biochemical kinetics, yet capturing nonlinear thermal effects directly from experimental data remains a major challenge due to limited throughput and model flexibility. Recent advances…
This deliverable reports our early energy models for data structures and algorithms based on both micro-benchmarks and concurrent algorithms. It reports the early results of Task 2.1 on investigating and modeling the trade-off between…
Consensus formation is a central problem in collective behavior. In this work, we develop quantum models of opinion dynamics that can be exactly solved and implemented on current quantum hardware. By exploiting quantum superposition,…
Carbon footprint quantification is key to well-informed decision making over carbon reduction potential, both for individuals and for companies. Many carbon footprint case studies for products and services have been circulated recently. Due…
The radiation hydrodynamic code CO5BOLD has been supplemented with the time-dependent treatment of chemical reaction networks. Advection of particle densities due to the hydrodynamic flow field is also included. The radiative transfer is…
Corrosion presents a major challenge to the longevity and reliability of products across various industries, particularly in the aerospace sector. Corrosion arises from chemical processes occurring on an atomistic scale, which lead to…
Based on the earlier obtained equations of state for the ternary systems H2O-CO2-CaCl2 and H2O-CO2-NaCl, an equation of state for the four-component fluid system H2O-CO2-NaCl-CaCl2 is derived in terms of the Gibbs excess free energy. A…
Due to the diversity of fuel cycle simulator modeling assumptions, direct comparison and benchmarking can be difficult. In 2012 the Organisation for Economic Co-operation and Development completed a benchmark study that is perhaps the most…
We develop a statistical toolbox for a quantitative model evaluation of stochastic reaction-diffusion systems modeling space-time evolution of biophysical quantities on the intracellular level. Starting from space-time data $X_N(t,x)$, as,…
In this work we aim to highlight a close analogy between cooperative behaviors in chemical kinetics and cybernetics; this is realized by using a common language for their description, that is mean-field statistical mechanics. First, we…