Related papers: Recommendations and tools to enable reproducibilit…
Background. Reproducibility is essential to the scientific method, but reproduction is often a laborious task. Recent works have attempted to automate this process and relieve researchers of this workload. However, due to varying…
Reconstruction of 3D scenes from 2D images is a technical challenge that impacts domains from Earth and planetary sciences and space exploration to augmented and virtual reality. Typically, reconstruction algorithms first identify common…
Vertically stacked van der Waals heterostructures are a lucrative platform for exploring the rich electronic and optoelectronic phenomena in two-dimensional materials. Their performance will be strongly affected by impurities and defects at…
Reproducibility of computationally-derived scientific discoveries should be a certainty. As the product of several person-years' worth of effort, results -- whether disseminated through academic journals, conferences or exploited through…
Designing molecular structures with desired chemical properties is an essential task in drug discovery and material design. However, finding molecules with the optimized desired properties is still a challenging task due to combinatorial…
Two-dimensional materials can be combined by placing individual layers on top of each other, so that they are bound only by their van der Waals interaction. The sequence of layers can be chosen arbitrarily, enabling an essentially…
Reproducing machine learning papers is essential for scientific progress but remains challenging for both humans and automated agents. Existing agent-based methods often struggle to fully and accurately reproduce implementation details such…
Paper holds the promise to replace silicon substrates in applications like internet of things or disposable electronics that require ultra-low-cost electronic components and an environmentally friendly electronic waste management. In the…
With many fantastic properties, memristive devices have been proposed as top candidate for next-generation memory and neuromorphic computing chips. Significant research progresses have been made in improving performance of individual…
Crystal structure prediction (CSP) stands as a powerful tool in materials science, driving the discovery and design of innovative materials. However, existing CSP methods heavily rely on formation enthalpies derived from density functional…
The screening of novel materials is an important topic in the field of materials science. Although traditional computational modeling, especially first-principles approaches, is a very useful and accurate tool to predict the properties of…
This work presents a survey of mechanical models describing van der Waals interactions between 2D materials, encompassing both continuous elastomer-like materials and discrete (crystalline) 2D materials such as graphene. These interactions…
We introduce M$^2$Hub, a toolkit for advancing machine learning in materials discovery. Machine learning has achieved remarkable progress in modeling molecular structures, especially biomolecules for drug discovery. However, the development…
To reduce cost in storing, processing and visualizing a large-scale point cloud, we consider a randomized resampling strategy to select a representative subset of points while preserving application-dependent features. The proposed strategy…
Automated paper reproduction has emerged as a promising approach to accelerate scientific research, employing multi-step workflow frameworks to systematically convert academic papers into executable code. However, existing frameworks often…
The reproducibility of scientific articles is central to the advancement of science. Despite this importance, evaluating reproducibility remains challenging due to the scarcity of ground truth data. Predictive models can address this…
Reproducibility in research remains hindered by complex systems involving data, models, tools, and algorithms. Studies highlight a reproducibility crisis due to a lack of standardized reporting, code and data sharing, and rigorous…
The Computing Community Consortium (CCC) sponsored a workshop on "Robotic Materials" in Washington, DC, that was held from April 23-24, 2018. This workshop was the second in a series of interdisciplinary workshops aimed at transforming our…
A growing number of largely uncoordinated initiatives focus on research software sustainability. A comprehensive mapping of the research software sustainability space can help identify gaps in their efforts, track results, and avoid…
Since the first successful synthesis of graphene just over a decade ago, a variety of two-dimensional (2D) materials (e.g., transition metal-dichalcogenides, hexagonal boron-nitride, etc.) have been discovered. Among the many unique and…