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Scientists often explore and analyze large-scale scientific simulation data by leveraging two- and three-dimensional visualizations. The data and tasks can be complex and therefore best supported using myriad display technologies, from…

Human-Computer Interaction · Computer Science 2024-04-30 Thomas Marrinan , Madeleine Moeller , Alina Kanayinkal , Victor A. Mateevitsi , Michael E. Papka

Immersive, stereoscopic viewing enables scientists to better analyze the spatial structures of visualized physical phenomena. However, their findings cannot be properly presented in traditional media, which lack these core attributes.…

Graphics · Computer Science 2016-11-29 Jacqueline Chu , Leonardo Ferrer , Min Shih , Kwan-Liu Ma

We report an implementation of a program for visualizing complex-valued molecular orbitals. The orbital phase information is encoded on each of the vertices of triangle meshes using the standard color wheel. Using this program, we…

Chemical Physics · Physics 2019-03-26 Rachael Al-Saadon , Toru Shiozaki , Gerald Knizia

The ability to precisely visualize the atomic geometry of the interactions between a drug and its protein target in structural models is critical in predicting the correct modifications in previously identified inhibitors to create more…

Biomolecules · Quantitative Biology 2018-08-14 Erick Martins Ratamero , Dom Bellini , Christopher G. Dowson , Rudolf A. Roemer

The aim of visualization is to support people in dealing with large and complex information structures, to make these structures more comprehensible, facilitate exploration, and enable knowledge discovery. However, users often have problems…

Human-Computer Interaction · Computer Science 2022-03-22 Christina Stoiber , Markus Wagner , Florian Grassinger , Margit Pohl , Holger Stitz , Marc Streit , Benjamin Potzmann , Wolfgang Aigner

In this manuscript, we will introduce a recently developed program GPView, which can be used for wave function analysis and visualization. The wave function analysis module can calculate and generate 3D cubes for various types of molecular…

Chemical Physics · Physics 2020-01-08 Tian Shi , Ping Wang

Effective data visualization is a key part of the discovery process in the era of big data. It is the bridge between the quantitative content of the data and human intuition, and thus an essential component of the scientific path from data…

We present a generalized framework for cellular/lattice based visualizations in two dimensions based on state of the art computing abstractions. Our implementation takes the form of a library of reusable functions written in C++ which hides…

Condensed Matter · Physics 2009-10-30 Mark Burgess , Haarek Haugerud , Are Strandlie

Nanomaterials possess a wide range of potential applications due to their novel properties compared to bulk matter, but these same properties may represent an unknown risk to health. Experimental safety testing cannot keep pace with the…

We have developed a Java-based teaching tool, "Appreciating Hubble at Hyper-speed" ($\textit{AHaH}$), intended for use by students and instructors in beginning astronomy and cosmology courses, which we have made available online. This tool…

Computer programming is among the fundamental aspects of computer science curriculum. Many students first introduced to introductory computer programming courses experience difficulties in learning and comprehending. Vast amount of…

Programming Languages · Computer Science 2014-08-13 Ally S. Nyamawe

Physics students now have access to interactive molecular dynamics simulations that can model and animate the motions of hundreds of particles, such as noble gas atoms, that attract each other weakly at short distances but repel strongly…

Physics Education · Physics 2015-02-27 Daniel V. Schroeder

The present contribution suggests the use of a multidimensional scaling (MDS) algorithm as a visualization tool for manifold-valued elements. A visualization tool of this kind is useful in signal processing and machine learning whenever…

Machine Learning · Statistics 2013-03-08 Simone Fiori

In this paper, we describe the development and operating principles of an immersive virtual reality (VR) visualisation environment that is designed around the use of consumer VR headsets in an existing wide area motion capture suite. We…

Human-Computer Interaction · Computer Science 2016-04-21 Stefan Marks , Javier E. Estevez , Andy M. Connor

In the present work we intend to introduce a system based on VR (Virtual Reality) for examining analytical-geometric structures that occur in the study of mathematics and physics concepts in the last high school classes. In our opinion, an…

Physics Education · Physics 2021-11-04 Marco Simonetti , Damiano Perri , Natale Amato , Osvaldo Gervasi

Driven by the unprecedented computational power available to scientific research, the use of computers in solid-state physics, chemistry and materials science has been on a continuous rise. This review focuses on the software used for the…

Materials Science · Physics 2021-11-01 Leopold Talirz , Luca M. Ghiringhelli , Berend Smit

By putting together an abstract view on quantum mechanics and a quantum-optics picture of the interactions of an atom with light, we develop a corresponding set of C++ classes that set up the numerical analysis of an atom with an arbitrary…

Atomic Physics · Physics 2017-03-23 Juha Javanainen

Quantum computing is an emerging field with growing implications across science and industry, making early educational exposure increasingly important. This paper examines how quantum computing concepts can be introduced into high-school…

Recent advance in nanotechnology has led to rapid advances in nanofluidics, which has been established as a reliable means for a wide variety of applications, including molecular separation, detection, crystallization and biosynthesis.…

Quantitative Methods · Quantitative Biology 2015-03-03 Jin Kyoung Park , Kelin Xia , Guo-Wei We

This article discusses how to make statistical graphics a more prominent element of the undergraduate statistics curricula. The focus is on several different types of assignments that exemplify how to incorporate graphics into a course in a…

Other Statistics · Statistics 2015-03-04 Deborah Nolan , Jamis Perrett