相关论文: Systematic pathway generation and sorting in marte…

We consider partially observable Markov decision processes (POMDPs) with a set of target states and positive integer costs associated with every transition. The traditional optimization objective (stochastic shortest path) asks to minimize…

In dense systems of hard-interacting colloidal particles having anisotropic shapes, crystallization pathways represent an interesting frontier. The translational and rotational dynamics of such particles become coupled at higher densities,…

The method and the advantages of an evolutionary computing based approach using a steady state genetic algorithm (GA) for the parameterization of interatomic potentials for metal oxides within the shell model framework are developed and…

Given an undirected graph G, the edge orientation problem asks for assigning a direction to each edge to convert G into a directed graph. The aim is to minimize the maximum out degree of a vertex in the resulting directed graph. This…

Atomic structures and adatom geometries of surfaces encode information about the thermodynamics and kinetics of the processes that lead to their formation, and which can be captured by a generative physical model. Here we develop a workflow…

Topological magnetic textures are particle-like spin configurations stabilized by competing interactions. Their formation is commonly attributed to fluctuation-driven, first-order nucleation processes requiring activation over a topological…

Pareto selective forces optimize several targets at the same time, instead of single fitness functions. Systems subjected to these forces evolve towards their Pareto front, a geometrical object akin to the thermodynamical Gibbs surface and…

The underlying structural order that transcends the liquid, glass and crystalline states is identified using an efficient genetic algorithm (GA). GA identifies the most common energetically favorable packing motif in crystalline structures…

The problem addressed here can be concisely formulated as follows: given a stable surface orientation with a known reconstruction and given a direction in the plane of this surface, find the atomic structure of the steps oriented along that…

Viscously damped objects driven through a periodically modulated potential energy landscape can become kinetically locked in to commensurate directions through the landscape, and thus can be deflected away from the driving direction. We…

We present a genetic algorithm for the atomistic design and global optimisation of substitutionally disordered bulk materials and surfaces. Premature convergence which hamper conventional genetic algorithms due to problems with…

Shortest path algorithms have played a key role in the past century, paving the way for modern day GPS systems to find optimal routes along static systems in fractions of a second. One application of these algorithms includes optimizing the…

We study a family of models for an $N_1 \times N_2$ matrix worth of Ising spins $S_{aB}$. In the large $N_i$ limit we show that the spins soften, so that the partition function is described by a bosonic matrix integral with a single…

In traditional topology optimization, the computing time required to iteratively update the material distribution within a design domain strongly depends on the complexity or size of the problem, limiting its application in real engineering…

Triply periodic minimal surfaces (TPMS) are discovered to conform to surfaces of given charge density distributions embedded in crystals [Z. Kristallogr. \textbf{170}, 138 (1985)]. Based on our previous work [Phys. Rev. Mater. \textbf{9},…

A theoretical study of toroidal membranes with various degrees of intrinsic orientational order is presented at mean-field level. The study uses a simple Ginzburg-Landau style free energy functional, which gives rise to a rich variety of…

Atomic congestion games are a classic topic in network design, routing, and algorithmic game theory, and are capable of modeling congestion and flow optimization tasks in various application areas. While both the price of anarchy for such…

Efficient algorithms for the calculation of minimum energy paths of magnetic transitions are implemented within the geodesic nudged elastic band (GNEB) approach. While an objective function is not available for GNEB and a traditional line…

We investigate the formation of polycrystalline structures in a class of particle systems. The atomistic energy is modeled as a sum of particle energies that favor atoms being locally isometric to a reference lattice. The discrete frame…

We study a simplified two-dimensional model for a cubic-to-orthorhombic phase transition occuring in certain shape-memory-alloys. In the low temperature regime the linear theory of elasticity predicts various possible patterns of martensite…