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We consider non cooperative binding in so called `temperature 1', in deterministic (here called {\it confluent}) tile self-assembly systems (1-TAS) and prove the standing conjecture that such systems do not have universal computational…
We investigate the role of nondeterminism in Winfree's abstract Tile Assembly Model (aTAM), which was conceived to model artificial molecular self-assembling systems constructed from DNA. Of particular practical importance is to find tile…
This paper presents results and convergence study of the Global--Local Iterative Coupling through the implementation in the commercial software Abaqus making use of the co-simulation engine. A hierarchical modeling and simulation approach…
We characterize the dynamic non-equilibrium steady state behavior of active particles using density fluctuations in the system. We analyze the effective local density around a particle in the steady state and numerically calculate its mean,…
Simulating energy systems is vital for energy planning to understand the effects of fluctuating renewable energy sources and integration of multiple energy sectors. Capacity expansion is a powerful tool for energy analysts and consists of…
The development of a generic and effective force model for semi-automatic or manual virtual assembly with haptic support is not a trivial task, especially when the assembly constraints involve complex features of arbitrary shape. The…
Most large engineering structures are described as assemblies of plates and shells and they are computed as such using adhoc Finite Element packages. In fact their computation in 3D would be much too costly. In this framework, the…
Monte Carlo simulation studies are at the core of the modern applied, computational, and theoretical statistical literature. Simulation is a broadly applicable research tool, used to collect data on the relative performance of methods or…
We define the Reflexive Tile Assembly Model (RTAM), which is obtained from the abstract Tile Assembly Model (aTAM) by allowing tiles to reflect across their horizontal and/or vertical axes. We show that the class of directed temperature-1…
The collective behavior of active semiflexible filaments is studied with a model of tangentially driven self-propelled worm-like chains. The combination of excluded-volume interactions and self-propulsion leads to several distinct dynamic…
Active solids combine internal active driving with elasticity to realize states with nonequilibrium mechanics and autonomous motion. They are often studied in overdamped settings, e.g., in soft materials, and the role of inertia is less…
An efficient technique to simulate turbulent particle-laden flow at high mass loadings within the four-way coupled simulation regime is presented. The technique implements large eddy simulation, discrete phase simulation, a deterministic…
The ever-increasing size and computational complexity of today's machine-learning algorithms pose an increasing strain on the underlying hardware. In this light, novel and dedicated architectural solutions are required to optimize energy…
Distributed combustion, often associated with the low-oxygen condition, offers ultra-low NOX emission. However, it was recently achieved without combustion air dilution or internal flue gas recirculation, using a distinct approach called…
Self-assembly is a fundamental concept in biology and of significant interest to nanotechnology. Significant progress has been made in characterizing and controlling the properties of the resulting structures, both experimentally and…
We use computer simulations to investigate self-assembly in a system of model chaperonin proteins, and in an Ising lattice gas. We discuss the mechanisms responsible for rapid and efficient assembly in these systems, and we use measurements…
When the heat released by a flame is sufficiently in phase with the acoustic pressure, a self-excited thermoacoustic oscillation can arise. These nonlinear oscillations are one of the biggest challenges faced in the design of safe and…
Active learning is a valuable tool for efficiently exploring complex spaces, finding a variety of uses in materials science. However, the determination of convex hulls for phase diagrams does not neatly fit into traditional active learning…
Designing components that can robustly self-assemble into structures with biological complexity is a grand challenge for material science. Proofreading and error correction is required to improve assembly yield beyond equilibrium limits,…
Although multi-task learning is widely applied in intelligent services, traditional multi-task modeling methods often require customized designs based on specific task combinations, resulting in a cumbersome modeling process. Inspired by…