Related papers: A bond swap algorithm for simulating dynamically c…
Polymer-assisted ion transport underpins both energy storage technologies and emerging neuromorphic computing devices. Efficient modeling of ion migration is essential for understanding the performance of batteries and memristors, but it…
Multivalency is prevalent in various biological systems and applications due to the superselectivity that arises from the cooperativity of multivalent binding. Traditionally, it was thought that weaker individual binding would improve the…
We describe an algorithm for dynamic load balancing of geometrically parallelized synchronous Monte Carlo simulations of physical models. This algorithm is designed for a (heterogeneous) multiprocessor system of the MIMD type with…
Complex soft matter systems can be efficiently studied with the help of adaptive resolution simulation methods, concurrently employing two levels of resolution in different regions of the simulation domain. The non-matching properties of…
The rise of artificial intelligence (AI) hinges on the efficient training of modern deep neural networks (DNNs) for non-convex optimization and uncertainty quantification, which boils down to a non-convex Bayesian learning problem. A…
We perform equilibrium Langevin dynamics simulations to understand the structure-viscoelasticity relationship of a dually crosslinked reversible polymer network. The cross-linking is achieved by introducing orthogonal crosslinkers (A and B)…
The nonlinearity of a Boolean function is a key property in deciding its suitability for cryptographic purposes, e.g. as a combining function in stream ciphers, and so the nonlinearity computation is an important problem for applications.…
Obtaining a rigorous and reliable method for linking computer simulations of polymer blends and composites at different length scales of interest is a highly desirable goal in soft matter physics. In this paper a multiscale modeling…
Gram-based and patch-based approaches are two important research lines of style transfer. Recent diversified Gram-based methods have been able to produce multiple and diverse stylized outputs for the same content and style images. However,…
Self-healing polymers crosslinked by solely reversible bonds are intrinsically weaker than common covalently crosslinked networks. Introducing covalent crosslinks into a reversible network would improve mechanical strength. It is…
Cosimulation methods allow combination of simulation tools of physical systems running in parallel to act as a single simulation environment for a big system. As data is passed across subsystem boundaries instead of solving the system as…
Many discrete models of biological networks rely exclusively on Boolean variables and many tools and theorems are available for analysis of strictly Boolean models. However, multilevel variables are often required to account for threshold…
We introduce a Monte-Carlo algorithm for the simulation of charged particles moving in the continuum. Electrostatic interactions are not instantaneous as in conventional approaches, but are mediated by a constrained, diffusing electric…
Active-passive multiagent systems consist of agents subject to inputs (active agents) and agents with no inputs (passive agents), where active and passive agent roles are considered to be interchangeable in order to capture a wide array of…
While most chemical bonds weaken under the action of mechanical force (called slip bond behavior), nature has developed bonds that do the opposite: their lifetime increases as force is applied. While such catch bonds have been studied quite…
Polynomial systems over the binary field have important applications, especially in symmetric and asymmetric cryptanalysis, multivariate-based post-quantum cryptography, coding theory, and computer algebra. In this work, we study the…
We consider non-adiabatic transitions in multiple dimensions, which occur when the Born-Oppenheimer approximation breaks down. We present a general, multi-dimensional algorithm which can be used to accurately and efficiently compute the…
The effect of different move sets on the folding kinetics of the Monte Carlo simulations is analysed based on the conformation-network and the temperature-dependent folding kinetics. A new scheme of implementing Metropolis algorithm is…
Proposed Bell pair swapping protocols, an essential component of the Quantum Internet, are planned-path: specific, structured, routing paths are reserved prior to the execution of the swapping process. This makes sense when one assumes the…
Radio spectrum monitoring in contested environments motivates the need for reliable automatic signal classification technology. Prior work highlights deep learning as a promising approach, but existing models depend on brute-force Doppler…