Related papers: AI-Driven Robotic Crystal Explorer for Rapid Polym…
The complexity of condensed matter arises from emergent behaviors that cannot be understood by analyzing individual constituents in isolation. While traditional condensed-matter approaches-developed primarily for ideal crystalline…
Analysis of XRD diffraction patterns is one of the keystones of materials science and materials research. With the advancement of data-driven methods for materials design, candidate materials can be quickly screened for the study of a…
Statistically sound crystallographic symmetry classifications are obtained with information theory based methods in the presence of approximately Gaussian distributed noise. A set of three synthetic patterns with strong Fedorov type…
The increased time- and length-scale of classical molecular dynamics simulations have led to raw data flows surpassing storage capacities, necessitating on-the-fly integration of structural analysis algorithms. As a result, algorithms must…
Analyzing air pollution data is challenging as there are various analysis focuses from different aspects: feature (what), space (where), and time (when). As in most geospatial analysis problems, besides high-dimensional features, the…
Embodied computer vision considers perception for robots in novel, unstructured environments. Of particular importance is the embodied visual exploration problem: how might a robot equipped with a camera scope out a new environment? Despite…
Understanding the behavior of numerical metaheuristic optimization algorithms is critical for advancing their development and application. Traditional visualization techniques, such as convergence plots, trajectory mapping, and fitness…
Discovering the underlying dynamics of complex systems from data is an important practical topic. Constrained optimization algorithms are widely utilized and lead to many successes. Yet, such purely data-driven methods may bring about…
Colloidal model systems allow studying crystallization kinetics under fairly ideal conditions with rather well characterized pair interactions and minimized external influences. In complementary approaches therefore experiment, analytic…
A thorough in situ characterization of materials at extreme conditions is challenging, and computational tools such as crystal structural search methods in combination with ab initio calculations are widely used to guide experiments by…
Recent advances in computational materials science present novel opportunities for structure discovery and optimization, including uncovering of unsuspected compounds and metastable structures, electronic structure, surface, and…
Two-dimensional lead halide perovskites are promising materials for optoelectronics due to the tunability of their properties with the number of lead halide layers and the choice of an organic spacer. Physical understanding for the rational…
Mathematical crystal chemistry views crystal structures as the optimal solutions of mathematical optimization problem formalizing inorganic structural chemistry. This paper introduces the minimum and maximum atomic radii depending on the…
A routine crystallography technique, crystal structure analysis, is rarely performed in computational condensed matter research. The lack of methods to identify and characterize crystal structures reliably in particle simulation data…
Most substances can crystallise into two or more different crystal lattices, called polymorphs. Despite this, there are no systems in which we can quantitatively predict the probability of one competing polymorph forming, instead of the…
Artificial intelligence (AI) is rapidly emerging as a new paradigm of scientific discovery, namely data-driven science, across nearly all scientific disciplines. In materials science and engineering, AI has already begun to exert a…
This paper presents a solution to controlling humanoid robotic systems. The robot can be programmed to execute certain complex actions based on basic motion primitives. The humanoid robot is programmed using a PC. The software running on…
To solve its task, a robot needs to have the ability to interpret its perceptions. In vision, this interpretation is particularly difficult and relies on the understanding of the structure of the scene, at least to the extent of its task…
Crystallization is a fundamental process in materials science, providing the primary route for the realization of a wide range of new materials. Crystallization rates are also considered to be useful probes of glass-forming ability. At the…
Autonomous navigation is essential for steel bridge inspection robot to monitor and maintain the working condition of steel bridges. Majority of existing robotic solutions requires human support to navigate the robot doing the inspection.…