Related papers: Optimizing doping parameters of target to enhance …
We present a new optimization-based method for atomistic-to-continuum (AtC) coupling. The main idea is to cast the coupling of the atomistic and continuum models as a constrained optimization problem with virtual Dirichlet controls on the…
We consider the optimization of a chemical microchannel reactor by means of PDE constrained optimization techniques, using the example of the Sabatier reaction. To model the chemically reacting flow in the microchannels, we introduce a…
Accelerator performance often deteriorates with time during a long period of operation due to secular changes in the machine components or the surrounding environment. In many cases some tuning knobs are effective in compensating the…
The aim of this paper is to formulate and analyze numerical discretizations of charged-particle dynamics (CPD) in a strong nonuniform magnetic field. A strategy is firstly performed for the two dimensional CPD to construct the…
An optimization procedure for sealing leakage paths in field-scale application of microbially induced calcite precipitation (MICP) is develop and applied to CO$_2$ storage. The procedure utilizes a recently developed field-scale MICP…
In recent experiments on ultracold matter, molecules have been produced from ultracold atoms by photoassociation, Feshbach resonances, and three-body recombination. The created molecules are translationally cold, but vibrationally highly…
The paper develops methods to construct a one-stage optimal design of dilution experiments under the total available volume constraint typical for bio-medical applications. We consider various design criteria based on the Fisher information…
Douglas-Rachford splitting and its equivalent dual formulation ADMM are widely used iterative methods in composite optimization problems arising in control and machine learning applications. The performance of these algorithms depends on…
What really sparked my interest was how certain parameters worked better at executing and optimization algorithm convergence even though the objective formula had no significant differences. Thus the research question stated: 'Which…
A multilevel approach to sample the potential energy surface in a path integral formalism is proposed. The purpose is to reduce the required number of ab initio evaluations of energy and forces in ab initio path integral molecular dynamics…
A method is created to automatically increase the threshold projection parameter in three-field density-based topology optimization to achieve a near binary design. The parameter increase each iteration is based on an exponential growth…
Every volumetric velocimetry measurements based on tracer (particles, bubbles, etc.) detection can be strongly influenced by the optical screening phenomenon. It has to be taken into account when the the statistical properties associated to…
Free-form shape optimization techniques are investigated to improve the separation efficiency of structured packings in laboratory-scale distillation columns. A simplified simulation model based on computational fluid dynamics (CFD) for the…
The paper is devoted to studying the performance of a computational pipeline, the number of simultaneously executing stages of which at each time is bounded from above by a fixed number. A look at the restriction as a structural hazard…
This paper presents a new technique for induction motor parameter identification. The proposed technique is based on a simple startup test using a standard V/F inverter. The recorded startup currents are compared to that obtained by…
We propose an open-boundary molecular dynamics method in which an atomistic system is in contact with an infinite particle reservoir at constant temperature, volume and chemical potential. In practice, following the Hamiltonian adaptive…
Empirical force fields employed in molecular dynamics simulations of complex systems can be optimised to reproduce experimentally determined structural and thermodynamic properties. In contrast, experimental knowledge about the rates of…
The following article presents a multi-length-scale characterization approach for investigating doping chemistry and spatial distributions within semiconductors, as demonstrated using a state-of-the-art CMOS image sensor. With an intricate…
This paper proposes a sequential design for maximizing a stochastic computer simulator output, y(x), over an unknown optimization domain. The training data used to estimate the optimization domain are a set of (historical) inputs, often…
This paper presents a hybrid optimization methodology for parameter estimation of reactive transport systems. Using reduced-order advection-diffusion-reaction (ADR) models, the computational requirements of global optimization with dynamic…