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We investigate the theoretical foundations of the simulated tempering method and use our findings to design efficient algorithms. Employing a large deviation argument first used for replica exchange molecular dynamics [Plattner et al., J.…

Chemical Physics · Physics 2019-02-08 Anton Martinsson , Jianfeng Lu , Benedict Leimkuhler , Eric Vanden-Eijnden

Constraining molecules in simulations (such as with constant bond lengths and/or angles) reduces their degrees of freedom (DoF), which in turn affects temperature calculations in those simulations. When local temperatures are measured, e.g.…

Statistical Mechanics · Physics 2026-03-24 Stephen Sanderson , Shern R. Tee , Debra J. Searles

Rapidly evolving artificial intelligence and machine learning applications require ever-increasing computational capabilities, while monolithic 2D design technologies approach their limits. Heterogeneous integration of smaller chiplets…

In the design phase of an electrical machine, finite element (FE) simulation are commonly used to numerically optimize the performance. The output of the magneto-static FE simulation characterizes the electromagnetic behavior of the…

Machine Learning · Computer Science 2022-11-01 Vivek Parekh , Dominik Flore , Sebastian Schöps

This study investigates the torsional mechanical properties of pristine iron (Fe) and carbon-doped iron (FeC) nanowires with [001] orientation through molecular dynamics simulations utilizing the Modified Embedded Atom Method (MEAM)…

Materials Science · Physics 2025-07-16 Charith L. Hirimuthugodage , Laalitha S. I. Liyanage , K. G. S. H. Gunawardana

Monitoring the internal temperature and humidity of shipping containers is essential to preventing quality degradation during cargo transportation. Sensorless monitoring -- machine learning models that predict the internal conditions of the…

Machine Learning · Computer Science 2025-11-06 Lingqing Shen , Chi Heem Wong , Misaki Mito , Arnab Chakrabarti

The simulation of high-temperature superconducting materials by implementing strongly correlated fermionic models in optical lattices is one of the major objectives in the field of analog quantum simulation. Here we show that local control…

Grain growth simulation is crucial for predicting metallic material microstructure evolution during annealing and resulting final mechanical properties, but traditional partial differential equation-based methods are computationally…

Materials Science · Physics 2025-05-09 Pungponhavoan Tep , Marc Bernacki

Ensemble weather predictions require statistical post-processing of systematic errors to obtain reliable and accurate probabilistic forecasts. Traditionally, this is accomplished with distributional regression models in which the parameters…

Machine Learning · Statistics 2019-04-01 Stephan Rasp , Sebastian Lerch

We present a Fourier-based machine learning technique that characterizes and detects facial emotions. The main challenging task in the development of machine learning (ML) models for classifying facial emotions is the detection of accurate…

Computer Vision and Pattern Recognition · Computer Science 2021-12-07 Aishwarya Gouru , Shan Suthaharan

The discrete element method (DEM) coupled with computational fluid dynamics (CFD), has been developed to simulate complex solid-fluid flow systems. Today, DEM is regarded as an established approach, with extensive applications in industrial…

Fluid Dynamics · Physics 2025-10-16 Toshiki Imatani , Mikio Sakai

Data-driven emulators are increasingly being used to learn and emulate physics-based simulations, reducing computational expense and run time. Here, we present a structured way to improve the quality of these high-dimensional emulated…

Machine Learning · Computer Science 2025-04-25 Nawid Keshtmand , Elena Fillola , Jeffrey Nicholas Clark , Raul Santos-Rodriguez , Matthew Rigby

Thermal conductivities are routinely calculated in molecular dynamics simulations by keeping the boundaries at different temperatures and measuring the slope of the temperature profile in the bulk of the material, explicitly using Fourier's…

Statistical Mechanics · Physics 2021-04-13 Yuanyang Ren , Kai Wu , David Cubero

Temperature gradients developed at ultra-high temperatures create a challenge for temperature measurements that are required for material processing. At ultra-high temperatures, the components of the system can react and change phases…

Errors in the representation of clouds in convection-permitting numerical weather prediction models can be introduced by different sources. These can be the forcing and boundary conditions, the representation of orography, the accuracy of…

Atmospheric and Oceanic Physics · Physics 2022-03-14 Stefanie Legler , Tijana Janjic

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…

Quantitative Methods · Quantitative Biology 2025-12-23 Mamoru Saita , Yutaka Hori

Accurate temperature measurements are essential for the proper monitoring and control of industrial furnaces. However, measurement uncertainty is a risk for such a critical parameter. Certain instrumental and environmental errors must be…

Signal Processing · Electrical Eng. & Systems 2022-01-12 Iñigo Martinez , Urtzi Otamendi , Igor G. Olaizola , Roger Solsona , Mikel Maiza , Elisabeth Viles , Arturo Fernandez , Ignacio Arzua

Our paper presents a non-destructive thermal transient measurement method that is able to reveal differences even in the micron size range of MEMS structures. Devices of the same design can have differences in their sacrificial layers as…

Other Computer Science · Computer Science 2007-11-29 P. Szabo , B. Nemeth , M. Rencz , B. Courtois

This article presents and assesses a framework for estimating temperature fields in real time for food-freezing applications, significantly reducing computational load while ensuring accurate temperature monitoring, which represents a…

Numerical Analysis · Mathematics 2025-06-03 Felipe Galarce , Diego Rivera , Douglas Pacheco , Alfonso Caiazzo , Ernesto Castillo

Accurate and efficient thermal dynamics models of permanent magnet synchronous motors are vital to efficient thermal management strategies. Physics-informed methods combine model-based and data-driven methods, offering greater flexibility…

Systems and Control · Electrical Eng. & Systems 2025-11-21 Xinyuan Liao , Shaowei Chen , Shuai Zhao
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