Photorealistic modelling of metals from first principles

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For decades transition-metal oxides have generated a huge interest due to the multitude of physical phenomena they exhibit. In this class of materials, the rare-earth nickelates, RNiO3, stand out for their rich phase diagram stemming from complex couplings ...

Self-tracking technologies open new doors to previously unimaginable scenarios. The diagnosis of diseases years in advance, or supporting the health of astronauts on missions to Mars are just some of many example applications. During the COVID-19 pandemic, ...

In this thesis, we propose and analyze novel numerical algorithms for solving three different high-dimensional problems involving tensors. The commonality of these problems is that the tensors can potentially be well approximated in low-rank formats. Ident ...

The numerical solution of singular eigenvalue problems is complicated by the fact that small perturbations of the coefficients may have an arbitrarily bad effect on eigenvalue accuracy. However, it has been known for a long time that such perturbations are ...

Neural network approaches to approximate the ground state of quantum hamiltonians require the numerical solution of a highly nonlinear optimization problem. We introduce a statistical learning approach that makes the optimization trivial by using kernel me ...

The finite element method is a well-established method for the numerical solution of partial differential equations (PDEs), both linear and nonlinear. However, the repeated re -assemblage of finite element matrices for nonlinear PDEs is frequently pointed ...

Isogeometric analysis is a powerful paradigm which exploits the high smoothness of splines for the numerical solution of high order partial differential equations. However, the tensor-product structure of standard multivariate B-spline models is not well s ...

The Spindle Assembly Abnormal Protein 6 (SAS-6) forms dimers, which then self-assemble into rings that are critical for the nine-fold symmetry of the centriole organelle. It has recently been shown experimentally that the self-assembly of SAS-6 rings is st ...

Printing gold alloys parts is a challenge due to the high reflectivity and thermal conductivity of these materials. Recent studies show an improvement in printing gold using the Laser Powder Bed Fusion (L-PBF) process; however, the impact of the A1 -> L1(0 ...

Photorealistic modelling of metals from first principles

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Hybridization driving distortions and multiferroicity in rare-earth nickelates

Designing self-tracking experiences: A qualitative study of the perceptions of barriers and facilitators to adopting digital health technology for automatic urine analysis at home

Low-Rank Tensor Methods for High-Dimensional Problems

Singular quadratic eigenvalue problems: linearization and weak condition numbers

Learning ground states of gapped quantum Hamiltonians with Kernel Methods

On the fast assemblage of finite element matrices with application to nonlinear heat transfer problems

Adaptive isogeometric methods with C-1 (truncated) hierarchical splines on planar multi-patch domains

Grand canonical Brownian dynamics simulations of adsorption and self-assembly of SAS-6 rings on a surface

Understanding variant selection and texture in additively manufactured red-gold alloys