相关论文: OpenMX Viewer: A web-based crystalline and molecul…
This paper proposes a visual analytics framework that addresses the complex user interactions required through a command-line interface to run analyses in distributed data analysis systems. The visual analytics framework facilitates the…
In this paper we show how advanced visualization tools can help the researcher in investigating and extracting information from data. The focus is on VisIVO, a novel open source graphics application, which blends high performance…
This work presents a web-based, open-source path tracer for rendering physically-based 3D scenes using WebGPU and the OpenPBR surface shading model. While rasterization has been the dominant real-time rendering technique on the web since…
Molecular dynamics simulation is a proven technique for computing and visualizing the time-resolved motion of macromolecules at atomic resolution. The MDsrv is a tool that streams MD trajectories and displays them interactively in web…
Background: Visualization of multi-channel microscopy data plays a vital role in biological research. With the ever-increasing resolution of modern microscopes the data set size of the scanned specimen grows steadily. On commodity hardware…
Extended defects in crystals, such as dislocations, stacking faults and grain boundaries, play a crucial role in determining a wide variety of materials properties. Extended defects can also lead to novel electronic properties in…
Despite the popularity of the Graphics Processing Unit (GPU) for general purpose computing, one should not forget about the practicality of the GPU for fast scientific visualisation. As astronomers have increasing access to three…
We present the graph-based molecule software Molassembler for building organic and inorganic molecules. Molassembler provides algorithms for the construction of molecules built from any set of elements from the periodic table. In…
We present MXtalTools, a flexible Python package for the data-driven modelling of molecular crystals, facilitating machine learning studies of the molecular solid state. MXtalTools comprises several classes of utilities: (1) synthesis,…
There are many ways to represent a molecule as input to a machine learning model and each is associated with loss and retention of certain kinds of information. In the interest of preserving three-dimensional spatial information, including…
We describe a broadband ferromagnetic resonance spectrometer for scientific and educational applications with a frequency range up to 30 GHz. It is built with low-cost components available off-the-shelf and utilizes 3D printed parts for…
In this study, we present a novel approach along with the needed computational strategies for efficient and scalable feature engineering of the crystal structure in compounds of different chemical compositions. This approach utilizes a…
3D Gaussian Splatting can exploit frustum culling and level-of-detail strategies to accelerate rendering of scenes containing a large number of primitives. However, the semi-transparent nature of Gaussians prevents the application of…
Upcoming HI surveys will deliver such large datasets that automated processing using the full 3-D information to find and characterize HI objects is unavoidable. Full 3-D visualization is an essential tool for enabling qualitative and…
Recent advances in materials discovery have been driven by structure-based models, particularly those using crystal graphs. While effective for computational datasets, these models are impractical for real-world applications where atomic…
The automatic analysis of chemical literature has immense potential to accelerate the discovery of new materials and drugs. Much of the critical information in patent documents and scientific articles is contained in figures, depicting the…
Preoperative medical imaging is an essential part of surgical planning. The data from medical imaging devices, such as CT and MRI scanners, consist of stacks of 2D images in DICOM format. Conversely, advances in 3D data visualization…
In the past, the features of a user interface were limited by those available in the existing graphical widgets it used. Now, improvements in processor speed have fostered the emergence of interpreted languages, in which the appropriate…
This paper introduces a novel method for characterizing fracture mechanisms in composite materials using 3D image data gained by computed tomography (CT) measurements. In mineral liberation, the understanding of these mechanisms is crucial,…
Digital biomarkers (DBMs) are a growing field and increasingly tested in the therapeutic areas of psychiatric and neurodegenerative disorders. Meanwhile, isolated silos of knowledge of audiovisual DBMs use in industry, academia, and clinics…