Related papers: Unveiling two types of local order in liquid water…
The phase diagram of water harbours many mysteries: some of the phase boundaries are fuzzy, and the set of known stable phases may not be complete. Starting from liquid water and a comprehensive set of 50 ice structures, we compute the…
We investigate the degree of local structural similarity between the parent-liquid and children-crystal states for a model soft-matter system of particles interacting through the harmonic-repulsive pair potential. At different pressures,…
Different types of liquids such as water, wine and medicine appear in all aspects of daily life. However, limited attention has been given to the task, hindering the ability of robots to avoid or interact with liquids safely. The…
The search of unconventional magnetic and nonmagnetic states is a major topic in the study of frustrated magnetism. Canonical examples of those states include various spin liquids and spin nematics. However, discerning their existence and…
How condensed-matter simulations depend on the number of molecules being simulated ($N$) is sometimes itself a valuable piece of information. Liquid crystals provide a case in point. Light scattering and $2d$-IR experiments on…
The accuracy of the training data limits the accuracy of bulk properties from machine-learned potentials. For example, hybrid functionals or wave-function-based quantum chemical methods are readily available for cluster data but effectively…
The capacity to devise order metrics for microstructures of multiphase heterogeneous media is a highly challenging task, given the richness of the possible geometries and topologies of the phases that can arise. This investigation initiates…
We analyze the nature of the structural order established in liquid TIP4P water in the framework provided by the multi-particle correlation expansion of the statistical entropy. Different regimes are mapped onto the phase diagram of the…
Proton ordering in water ice is a paradigmatic order-disorder transition in a locally constrained system. The ice rules require exactly two hydrogens close to each oxygen, restricting the disorder to an exponentially large yet strongly…
Machine learning has been effective at detecting patterns and predicting the response of systems that behave free of natural laws. Examples include learning crowd dynamics, recommender systems and autonomous mobility. There also have been…
Recent advances in AI and robotics have claimed many incredible results with deep learning, yet no work to date has applied deep learning to the problem of liquid perception and reasoning. In this paper, we apply fully-convolutional deep…
The concept of the order parameter is extremely useful in physics. Here, I discuss extensions of this concept to cases when the order parameter is no longer a constant but fluctuates or oscillates in space and time. This allows one to…
Traditional materials discovery approaches - relying primarily on laborious experiments - have controlled the pace of technology. Instead, computational approaches offer an accelerated path: high-throughput exploration and characterization…
The ability to recognize the liquid surface and the liquid level in transparent containers is perhaps the most commonly used evaluation method when dealing with fluids. Such recognition is essential in determining the liquid volume, fill…
This article presents a leak localization methodology based on state estimation and learning. The first is handled by an interpolation scheme, whereas dictionary learning is considered for the second stage. The novel proposed interpolation…
Recent years have seen a significant increase in the use of machine intelligence for predicting electronic structure, molecular force fields, and the physicochemical properties of various condensed systems. However, substantial challenges…
One of the basic concepts of modern physics with a long prehistory is a fluid, which means a substance that flows under an applied shear stress. In this sense fluids form a wide subset of the phases of matter that includes liquids, dense…
Molecular dipole moment in liquid water is an intriguing property, partly due to the fact that there is no unique way to partition the total electron density into individual molecular contributions. The prevailing method to circumvent this…
The increasing prevalence of marine pollution during the past few decades motivated recent research to help ease the situation. Typical water quality assessment requires continuous monitoring of water and sediments at remote locations with…
It is difficult to quantify structure-property relationships and to identify structural features of complex materials. The characterization of amorphous materials is especially challenging because their lack of long-range order makes it…