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We apply a recently developed adaptive algorithm that systematically improves the efficiency of parallel tempering or replica exchange methods in the numerical simulation of small proteins. Feedback iterations allow us to identify an…
Computer models, aiming at simulating a complex real system, are often calibrated in the light of data to improve performance. Standard calibration methods assume that the optimal values of calibration parameters are invariant to the model…
This work builds on the previous introduction [1] of a coupled experimental-computational system devised to fully characterize the thermal behavior of complex 3D submicron electronic devices. The new system replaces the laser-based surface…
Photoionisation is one of the main mechanisms at work in the gaseous environment of bright astrophysical sources. Many information on the gas physics, chemistry and kinematics, as well as on the ionising source itself, can be gathered…
An efficient numerical algorithm for the laser driven multi-level ionization of high-atomic-number gases is proposed and implemented in an electromagnetic particle-in-cell code SPACE. The algorithm is based on analytical solutions to the…
We have developed a new simulation algorithm for free-energy calculations. The method is a multidimensional extension of the replica-exchange method. While pairs of replicas with different temperatures are exchanged during the simulation in…
In this paper, we consider the problem of accelerating the numerical simulation of time dependent problems by time domain decomposition. The available algorithms enabling such decompositions present severe efficiency limitations and are an…
Flow boiling is an efficient heat transfer mechanism capable of dissipating high heat loads with minimal temperature variation, making it an ideal thermal management method. However, sudden shifts between flow regimes can disrupt thermal…
Center-based models are used to simulate the mechanical behavior of biological cells during embryonic development or cancer growth. To allow for the simulation of biological populations potentially growing from a few individual cells to…
This paper introduces an adaptive time splitting technique for the solution of stiff evolutionary PDEs that guarantees an effective error control of the simulation, independent of the fastest physical time scale for highly unsteady…
This paper presents a method to simulate the thermal behavior of 3D systems using a graph neural network. The method discussed achieves a significant speed-up with respect to a traditional finite-element simulation. The graph neural network…
While scaling test-time compute can substantially improve model performance, existing approaches either rely on static compute allocation or sample from fixed generation distributions. In this work, we introduce a test-time compute…
Population-based evolutionary algorithms are often considered when approaching computationally expensive black-box optimization problems. They employ a selection mechanism to choose the best solutions from a given population after comparing…
We present a fully adaptive multiresolution scheme for spatially two-dimensional, possibly degenerate reaction-diffusion systems, focusing on combustion models and models of pattern formation and chemotaxis in mathematical biology.…
This is the second paper in a series describing a numerical implementation of the conformal Einstein equation. This paper deals with the technical details of the numerical code used to perform numerical time evolutions from a "minimal" set…
The software compensation algorithms developed for the CALICE Analog Hadron Calorimeter are extended to incorporate time information on the cell level, and the performance is studied in GEANT4 simulations with a detector model of a…
The circadian rhythm plays a crucial role in regulating biological processes, and its disruption is linked to various health issues. Identifying small molecules that influence the circadian period is essential for developing targeted…
The calibration process for the hybrid array pixel detector designed for High Energy Photon Source in China, we called HEPS-BPIX, is presented in this paper. Based on the threshold scanning, the relationship between energy and threshold is…
Correlation Plenoptic Imaging (CPI) is a novel technological imaging modality enabling to overcome drawbacks of standard plenoptic devices, while preserving their advantages. However, a major challenge in view of real-time application of…
We derive a new criterion for estimating characteristic dynamical timescales in N-body simulations. The criterion uses the second, third, and fourth derivatives of particle positions: acceleration, jerk, and snap. It can be used for…