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Configuration-Constrained Tube Model Predictive Control (CCTMPC) offers flexibility by using a polytopic parameterization of invariant sets and the optimization of an associated vertex control law. This flexibility, however, often demands…
In cryo-electron microscopy (EM), molecular structures are determined from large numbers of projection images of individual particles. To harness the full power of this single-molecule information, we use the Bayesian inference of EM…
Organic molecular crystals underpin technologies ranging from pharmaceuticals to organic electronics, yet predicting solid-state packing of molecules remains challenging because candidate generation is combinatorial and stability is only…
Lattice-type structures can provide a combination of stiffness with light weight that is desirable in a variety of applications. Design optimization of these structures must rely on approximations of the governing physics to render solution…
In this thesis, a computational framework for microstructural modelling of transverse behaviour of heterogeneous materials is presented. The context of this research is part of the broad and active field of Computational Micromechanics,…
An efficient and reliable stress computation algorithm is presented, which is based on implicit integration of the local evolution equations of multiplicative finite-strain plasticity/viscoplasticity. The algorithm is illustrated by an…
Scanning Tunneling microscopy (STM) is a widely used tool for atomic imaging of novel materials and its surface energetics. However, the optimization of the imaging conditions is a tedious process due to the extremely sensitive tip-surface…
In this work we propose an efficient and accurate multi-scale optical simulation algorithm by applying a numerical version of slowly varying envelope approximation in FEM. Specifically, we employ the fast iterative method to quickly compute…
An optimization scheme using the Cell-based Smoothed Finite Element Method (CS-FEM) combined with a Genetic Algorithm (GA) framework is proposed in this paper to design shape adaptive laminated composite marine propellers. The proposed…
The Adaptive Stabilized Finite Element method (AS-FEM) developed in Calo et. al. combines the idea of the residual minimization method with the inf-sup stability offered by the discontinuous Galerkin (dG) frameworks. As a result, the…
Computationally hard combinatorial optimization problems (COPs) are ubiquitous in many applications, including logistical planning, resource allocation, chip design, drug explorations, and more. Due to their critical significance and the…
In this paper, we propose an efficient parallelization strategy for boundary element method (BEM) solvers that perform the electromagnetic analysis of structures with lossy conductors. The proposed solver is accelerated with the adaptive…
Latent heat thermal energy storage (LHTES) systems are compelling candidates for energy storage, primarily owing to their high storage density. Improving their performance is crucial for developing the next-generation efficient and cost…
This paper describes the use of the corotational cut Finite Element Method (FEM) for real-time surgical simulation. Users only need to provide a background mesh which is not necessarily conforming to the boundaries/interfaces of the…
We present an approach for synthesising observational data with elastodynamic finite element models by extending the statistical finite element method (statFEM) framework. The proposed formulation adopts a Bayesian filtering approach to…
Continual Learning (CL) strives to learn incrementally across tasks while mitigating catastrophic forgetting. A key challenge in CL is balancing stability (retaining prior knowledge) and plasticity (learning new tasks). While representative…
Gradient-free black-box optimization (BBO) is widely used in engineering design and provides a flexible framework for topology optimization (TO), enabling the discovery of high-performing structural designs without requiring gradient…
Compound-tunable embedding potential (CTEP) method is proposed. A fragment of some chemical compound, "main cluster" in the present paper, is limited by boundary anions such that the nearest environmental atoms are cations. The CTEP method…
Developing an appropriate design process for a conceptual model is a stepping stone toward designing car bodies. This paper presents a methodology to design a lightweight and modular space frame chassis for a sedan electric car. The dual…
$T, p$ flash calculations determine the correct number of phases at phase equilibrium and their compositions for fixed temperature and pressure. They are essential for chemical process simulation and optimization. The convex envelope method…