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An introduction to the Quantum Chemistry Package (QCP), implemented in the computer algebra system Maple, is presented. The QCP combines sophisticated electronic structure methods and Maple's easy-to-use graphical interface to enable…

Physics Education · Physics 2021-04-01 Jason M. Montgomery , David A. Mazziotti

We are at the dawn of the second quantum revolution, where our ability to create and control individual quantum systems is poised to drive transformative advancements in basic science, computation, and everyday life. However, quantum theory…

Electron tomography in materials science has flourished with the demand to characterize nanoscale materials in three dimensions (3D). Access to experimental data is vital for developing and validating reconstruction methods that improve…

The focus of this Visualization Viewpoints article is to provide some background on Quantum Computing (QC), to explore ideas related to how visualization helps in understanding QC, and examine how QC might be useful for visualization with…

The challenge of navigation in environments with dynamic objects continues to be a central issue in the study of autonomous agents. While predictive methods hold promise, their reliance on precise state information makes them less practical…

Robotics · Computer Science 2024-10-28 Hsuan-Kung Yang , Tsung-Chih Chiang , Ting-Ru Liu , Chun-Wei Huang , Jou-Min Liu , Chun-Yi Lee

The quest for deeper understanding of biological systems has driven the acquisition of increasingly larger multidimensional image datasets. Inspecting and manipulating data of this complexity is very challenging in traditional visualization…

Graphics · Computer Science 2018-08-23 Stanislav Pidhorskyi , Michael Morehead , Quinn Jones , George Spirou , Gianfranco Doretto

In the present work we have made use of the animation freeware Algodoo,as an easy handling tool to teach and learn physics. The animation is based on the oblique motion model and we have described the movement qualitatively, showing changes…

Most methods for optical visualization beyond the diffraction limit rely on fluorescence emission by molecular tags. Here, we report a method for visualization of nanostructures down to a few nanometers using a conventional bright-field…

This article describes a software named "KnotPortal" for visualization of branched covers of knots based on an idea by Bill Thurston to view a knot as a portal to other universes. Our implementation allows users to explore these knotted…

General Topology · Mathematics 2020-04-21 Moritz Lucius Sümmermann

WavePacket is an open-source program package for the numerical simulation of quantum-mechanical dynamics. It can be used to solve time-independent or time-dependent linear Schr\"odinger and Liouville-von Neumann-equations in one or more…

Quantum Physics · Physics 2023-02-09 Burkhard Schmidt , Ulf Lorenz

Data visualization is the process by which data of any size or dimensionality is processed to produce an understandable set of data in a lower dimensionality, allowing it to be manipulated and understood more easily by people. The goal of…

Graphics · Computer Science 2021-07-06 Alexander Kiefer , Md. Khaledur Rahman

Deciphering the three-dimensional atomic structure of solid-solid interfaces in core-shell nanomaterials is the key to understand their remarkable catalytical, optical and electronic properties. Here, we probe the three-dimensional atomic…

Materials Science · Physics 2023-06-21 Zezhou Li , Zhiheng Xie , Yao Zhang , Xilong Mu , Hai-jing Yin , Ya-wen Zhang , Colin Ophus , Jihan Zhou

Though the mediums for visualization are limited, the potential dimensions of a dataset are not. In many areas of scientific study, understanding the correlations between those dimensions and their uncertainties is pivotal to mining useful…

Astrophysics · Physics 2009-02-25 Steve Haroz , Kwan-Liu Ma , Katrin Heitmann

Scientific data sets continue to increase in both size and complexity. In the past, dedicated graphics systems at supercomputing centers were required to visualize large data sets, but as the price of commodity graphics hardware has dropped…

Instrumentation and Methods for Astrophysics · Physics 2015-05-19 P. R. Gazis , C. Levit , M. J. Way

Virtual Observatories (VOs) are online hubs of scientific knowledge. They encompass a collection of platforms dedicated to the storage and dissemination of astronomical data, from simple data archives to e-research platforms offering…

Instrumentation and Methods for Astrophysics · Physics 2018-04-25 Tim Dykes , Amr Hassan , Claudio Gheller , Darren Croton , Mel Krokos

Silicon-oxygen compounds are among the most important ones in the natural sciences, occurring as building blocks in minerals and being used in semiconductors and catalysis. Beyond the well known silicon dioxide, there are phases with…

Materials Science · Physics 2025-04-16 Linus C. Erhard , Jochen Rohrer , Karsten Albe , Volker L. Deringer

Information visualization applications have become ubiquitous, in no small part thanks to the ease of wide distribution and deployment to users enabled by the web browser. Scientific visualization applications, relying on native code…

Graphics · Computer Science 2020-09-08 Will Usher , Valerio Pascucci

Creation of nanomaterials with specific morphology remains a complex experimental process, even though there is a growing demand for these materials in various industry sectors. This study explores the potential of AI to predict the…

Machine Learning · Computer Science 2024-08-01 Ivan Dubrovsky , Andrei Dmitrenko , Aleksei Dmitrenko , Nikita Serov , Vladimir Vinogradov

We describe a way to introduce physics high school students with no background in programming to computational problem-solving experiences. Our approach builds on the great strides made by the Modeling Instruction reform curriculum. This…

We present an open-source software package, HADOKEN (High-level Algorithms to Design, Optimize, and Keep Electrons in Nanowires), for predicting electron confinement/localization effects in nanowires with various geometries, {arbitrary…

Mesoscale and Nanoscale Physics · Physics 2022-03-15 Bryan M. Wong , Cameron Chevalier
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