相关论文: UConnRCMPy: Python-based data analysis for rapid c…
Entropy and free-energy estimation are key in thermodynamic characterization of simulated systems ranging from spin models through polymers, colloids, protein structure, and drug-design. Current techniques suffer from being model specific,…
Computed tomography perfusion (CTP) and magnetic resonance perfusion (MRP) are widely used in acute ischemic stroke assessment and other cerebrovascular conditions to generate quantitative maps of cerebral hemodynamics. While commercial…
Autoignition experiments of stoichiometric mixtures of s-, t-, and i-butanol in air have been performed using a heated rapid compression machine (RCM). At compressed pressures of 15 and 30 bar and for compressed temperatures in the range of…
The Run Control and Monitor System (RCMS) of the CMS experiment is the set of hardware and software components responsible for controlling and monitoring the experiment during data-taking. It provides users with a "virtual counting room",…
Despite the recent success of Large Language Models (LLMs), it remains challenging to feed LLMs with long prompts due to the fixed size of LLM inputs. As a remedy, prompt compression becomes a promising solution by removing redundant tokens…
We present OpenMM-Python-Force, a plugin designed to extend OpenMM's functionality by enabling integration of energy and force calculations from external Python programs via a callback mechanism. During molecular dynamics simulations, data…
This work introduces a comprehensive approach utilizing data-driven methods to elucidate the deposition process regimes in Chemical Vapor Deposition (CVD) reactors and the interplay of physical mechanism that dominate in each one of them.…
To deploy machine learning models on-device, practitioners use compression algorithms to shrink and speed up models while maintaining their high-quality output. A critical aspect of compression in practice is model comparison, including…
Magpy is a C++ accelerated Python package for modelling and simulating the magnetic dynamics of nano-sized particles. Nanoparticles are modelled as a system of three-dimensional macrospins and simulated with a set of coupled stochastic…
Reactivity Controlled Compression Ignition (RCCI) is a new advanced engine concept that uses a dual fuel mode of operation to achieve significant improvements in fuel economy and emissions output. The fuels that are typically used in this…
Dense suspensions are widespread in nature, manufacturing and process engineering. Particle-based simulations have proven to be an invaluable complement to experimental rheological characterisation, serving as a virtual rheometer that…
This paper introduces a new platform to accelerate the modeling of complex aerothermochemical interactions in new turbomachines, turbo-reactors, to decarbonise chemical processes. While previous work has aerothermally demonstrated the…
R\'enyi entropy is an important measure in the context of information theory as a generalization of Shannon entropy. This information measure was often used for uncertainty quantification of dynamical behaviour of stochastic processes. In…
An open-source, Python-based Temporal Analysis of Products (TAP) reactor simulation and processing program is introduced. TAPsolver utilizes algorithmic differentiation for the calculation of highly accurate derivatives, which are used to…
Simulating dynamics of open quantum systems is sometimes a significant challenge, despite the availability of various exact or approximate methods. Particularly when dealing with complex systems, the huge computational cost will largely…
Restricted Boltzman Machines (RBMs) have been successfully used in recommender systems. However, as with most of other collaborative filtering techniques, it cannot solve cold start problems for there is no rating for a new item. In this…
The Resistive Plate Chamber (RPC) muon subsystem contributes significantly to the formation of the trigger decision and reconstruction of the muon trajectory parameters. Simulation of the RPC response is a crucial part of the entire CMS…
Magnetron sputtering is an essential technique in combinatorial materials science, enabling the efficient synthesis of thin-film materials libraries with continuous compositional gradients. For exploring multidimensional search spaces,…
A systematic investigation on the effects of roaming radical reactions on global combustion properties for transportation fuels is presented. New software was developed that can automatically discover all the possible roaming pathways…
This research explores the integration of large language models (LLMs) into scientific data assimilation, focusing on combustion science as a case study. Leveraging foundational models integrated with Retrieval-Augmented Generation (RAG)…