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Microgrids are recognized as a relevant tool to absorb decentralized renewable energies in the energy mix. However, the sequential handling of multiple stochastic productions and demands, and of storage, make their management a delicate…
We propose a new multi-scale molecular dynamics simulation method which can achieve high accuracy and high sampling efficiency simultaneously without aforehand knowledge of the coarse grained (CG) potential and test it for a biomolecular…
This work introduces an innovative parallel, fully-distributed finite element framework for growing geometries and its application to metal additive manufacturing. It is well-known that virtual part design and qualification in additive…
The Calisson puzzle is a tiling puzzle in which one must tile a triangular grid inside a hexagon with lozenges, under the constraint that certain prescribed edges remain tile boundaries and that adjacent lozenges along these edges have…
Modularity is appealing for solving many problems in optimization. It brings the benefits of manufacturability and reconfigurability to structural optimization, and enables a trade-off between the computational performance of a Periodic…
Evaluating conjunctive queries and solving constraint satisfaction problems are fundamental problems in database theory and artificial intelligence, respectively. These problems are NP-hard, so that several research efforts have been made…
Self-assembly is a ubiquitous process in synthetic and biological systems, broadly defined as the spontaneous organization of multiple subunits (e.g. macromolecules, particles) into ordered multi-unit structures. The vast majority of…
In this paper, we analyze the convergence %semi-convergence properties of projected non-stationary block iterative methods (P-BIM) aiming to find a constrained solution to large linear, usually both noisy and ill-conditioned, systems of…
One of the challenges of self-assembling finite-sized colloidal aggregates with a sought morphology is the necessity of precisely sorting the position of the colloids at the microscopic scale to avoid the formation of off-target structures.…
A method for solving the shell-model eigenproblem in a severely truncated space, spanned by properly selected correlated states obtained by partitioning the full configuration space, is proposed. The method describes in a practically exact…
Schedulability bounds not only serve as efficient tests to decide schedulability of real-time task systems but also reveal insights about the worst-case performance of scheduling algorithms. Different from sequential real-time task systems…
Self-consistent field theory (SCFT) and strong segregation theory (SST) are used to explore the parameter space governing the self-assembly of cylinder forming block copolymers (BCPs) on a modulated substrate. The stability of in-plane…
In this paper we construct nonlinear partial differential equations in more than 3 independent variables, possessing a manifold of analytic solutions with high, but not full, dimensionality. For this reason we call them ``partially…
Tile displacement is a newly-recognized mechanism in DNA nanotechnology that exploits principles analogous to toehold-mediated strand displacement but within the context of self-assembled DNA origami tile arrays. Here, we formulate an…
Many systems may switch to an undesired state due to internal failures or external perturbations, of which critical transitions toward degraded ecosystem states are a prominent example. Resilience restoration focuses on the ability of…
We consider a discrete-time model for random interface growth which admits exact formulas and converges to the Polynuclear growth model in a particular limit. The height of the interface is initially flat and the evolution involves the…
We call a matrix completely mixable if the entries in its columns can be permuted so that all row sums are equal. If it is not completely mixable, we want to determine the smallest maximal and largest minimal row sum attainable. These…
Introducing flexibility in the time-discretisation mesh can improve convergence and computational time when solving differential equations numerically, particularly when the solutions are discontinuous, as commonly found in control problems…
We consider the decidability of state-to-state reachability in linear time-invariant control systems over continuous time. We analyse this problem with respect to the allowable control sets, which are assumed to be the image under a linear…
Multi-component polymer mixtures are ubiquitous in biological self-organization but are notoriously difficult to study computationally. Plagued by both slow single molecule relaxation times and slow equilibration within dense mixtures,…