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Cholesteric liquid crystals can exhibit spatial patterns in molecular alignment at interfaces that can be exploited for particle assembly. These patterns emerge from the competition between bulk and surface energies, tunable with the system…
Recent progress in robotic manipulation has dealt with the case of previously unknown objects in the context of relatively simple tasks, such as bin-picking. Existing methods for more constrained problems, however, such as deliberate…
Spin coating is an out-of-equilibrium technique for producing polymer films and colloidal crystals quickly and reproducibly. In this review, we present an overview of theoretical and experimental studies of the spin coating of colloidal…
Multiscale modeling and analysis of multiphysics coupling processes in highly heterogeneous media present significant challenges. In this paper, we propose a novel multiphysics embedding localized orthogonal decomposition (ME-LOD) method…
We propose, analyze, and test a penalty projection-based efficient and accurate algorithm for the Uncertainty Quantification (UQ) of the time-dependent Magnetohydrodynamic (MHD) flow problems in convection-dominated regimes. The algorithm…
In the fields of nanoscience and nanotechnology, it is important to be able to functionalize surfaces chemically for a wide variety of applications. Scanning tunneling microscopes (STMs) are important instruments in this area used to…
Entangled qudits, the high-dimensional entangled states, play an important role in the study of quantum information. How to prepare entangled qudits in an efficient and easy-to-operate manner is still a challenge in quantum technology.…
Understanding molecular adsorption on surfaces underpins many problems in chemistry and materials science. Accurately and efficiently describing the adsorption has been a challenging task for first-principles methods as the process can…
Soft robots achieve functionality through tight coupling among geometry, material composition, and actuation. As a result, effective design optimization requires these three aspects to be considered jointly rather than in isolation. This…
The rapid evolution of next-generation communications and the Internet of Things (IoT) has catalyzed an urgent demand for governing expansive spatial environments as functional electromagnetic (EM) entities. However, deterministically…
We develop a sparse multiscale operator-adapted wavelet decomposition-based finite element method (FEM) on unstructured polygonal mesh hierarchies obtained via a coarsening procedure. Our approach decouples different resolution levels,…
Quantum-chemical simulations are essential for predicting energies of chemical reactions. Accurately solving the many-body Schr\"odinger equation for reagent and product states of most relevant chemical process is, however, unfeasible.…
Geometric embeddings have recently received attention for their natural ability to represent transitive asymmetric relations via containment. Box embeddings, where objects are represented by n-dimensional hyperrectangles, are a particularly…
Electrochemical energy systems rely on particulate porous electrodes to store or convert energies. While the three-dimensional porous structures were introduced to maximize the interfacial area for better overall performance of the system,…
Embeddings provide compact representations of signals in order to perform efficient inference in a wide variety of tasks. In particular, random projections are common tools to construct Euclidean distance-preserving embeddings, while…
Quantum-mechanical simulations can offer atomic-level insights into chemical processes on surfaces. This understanding is crucial for the rational design of new solid catalysts as well as materials to store energy and mitigate greenhouse…
When an initially entangled pair of qubits undergoes local decoherence processes, there are a number of ways in which the original entanglement can spread throughout the multipartite system consisting of the two qubits and their…
We introduce a computational scheme for calculating the electronic structure of random alloys that includes electronic correlations within the framework of the combined density functional and dynamical mean-field theory. By making use of…
We apply a number of atomic decomposition schemes across the standard QM7 dataset -- a small model set of organic molecules at equilibrium geometry -- to inspect the possible emergence of trends among contributions to atomization energies…
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…