Related papers: DLCM: a versatile multi-level solver for heterogen…
The simulation of thermochemical nonequilibrium for the atomic and molecular energy level populations in plasma flows requires a comprehensive modeling of all the elementary collisional and radiative processes involved. Coupling detailed…
Dynamic Causal Modeling (DCM) is a Bayesian framework for inferring on hidden (latent) neuronal states, based on measurements of brain activity. Since its introduction in 2003 for functional magnetic resonance imaging data, DCM has been…
Recent results on supercomputers show that beyond 65K cores, the efficiency of molecular dynamics simulations of interfacial systems decreases significantly. In this paper, we introduce a dynamic cutoff method (DCM) for interfacial systems…
Computational load imbalance is a well-known performance issue in multiprocessor reacting flow simulations utilizing directly integrated chemical kinetics. We introduce an open-source dynamic load balancing model named DLBFoam to address…
The processes taking place inside the living cell are now understood to the point where predictive computational models can be used to gain detailed understanding of important biological phenomena. A key challenge is to extrapolate this…
We present a robust Distributed and Localized Model Predictive Control (rDLMPC) framework for large-scale structured linear systems. The proposed algorithm uses the System Level Synthesis to provide a distributed closed-loop model…
This article presents a comparison of various implementations of the Lattice Discrete Particle Model (LDPM) for the numerical simulation of concrete and other heterogeneous quasibrittle materials. The comparison involves the use of…
High-precision scientific simulation faces a long-standing trade-off between computational efficiency and physical fidelity. To address this challenge, we propose NeuralOGCM, an ocean modeling framework that fuses differentiable programming…
This master thesis introduces the idea of dynamic cutoffs in molecular dynamics simulations, based on the distance between particles and the interface, and presents a solution for detecting interfaces in real-time. Our dynamic cutoff method…
The increasing presence of large-scale distributed systems highlights the need for scalable control strategies where only local communication is required. Moreover, in safety-critical systems it is imperative that such control strategies…
We present the Distributed and Localized Model Predictive Control (DLMPC) algorithm for large-scale structured linear systems, wherein only local state and model information needs to be exchanged between subsystems for the computation and…
Discrete Combinatorial Problems (DCPs) are prevalent in industrial decision-making and optimisation. However, while constraint solving technologies for DCPs have advanced significantly, the core process of formalising them, namely…
There are several approaches to describe flows with particles e.g. Lattice-Gas Automata (LGA), Lattice-Boltzmann method (LBM) or smoothed particle hydrodynamics (SPH). These approaches do not use fixed grids on which the Navier-Stokes…
We present a computational framework for the simulation of blood flow with fully resolved red blood cells (RBCs) using a modular approach that consists of a lattice Boltzmann solver for the blood plasma, a novel finite element based solver…
Although Lattice Boltzmann Method (LBM) is relatively straightforward, it demands a well-crafted framework to handle the complex partial differential equations involved in multiphase flow simulations. For the first time to our knowledge,…
Solving large-scale Partial Differential Equations (PDEs) on complex three-dimensional geometries represents a central challenge in scientific and engineering computing, often impeded by expensive pre-processing stages and substantial…
Ab initio quantum Monte Carlo (QMC) is a stochastic approach for solving the many-body Schr\"odinger equation without resorting to one-body approximations. QMC algorithms are readily parallelizable via ensembles of $N_w$ walkers, making…
Consistency Models (CMs) have significantly accelerated the sampling process in diffusion models, yielding impressive results in synthesizing high-resolution images. To explore and extend these advancements to point-cloud-based 3D shape…
Discrete choice models (DCMs) have been widely utilized in various scientific fields, especially economics, for many years. These models consider a stochastic environment influencing each decision maker's choices. Extensive research has…
This paper presents a novel high-order cell-centered Lagrangian scheme for 2D compressible hydrodynamics by bridging the multi-moment constrained finite volume method (MCV) [16, 51, 52] with a nodal Riemann solver. This scheme (denoted by…