Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Concept Videos

Control Volume and System Representations01:16

Control Volume and System Representations

Two key frameworks are employed to analyze mass, energy, and momentum transfer: the control volume approach and the system approach. These frameworks offer different perspectives, depending on whether the focus is on a specific region in space (control volume approach) or a defined mass of fluid (system approach).
The control volume approach considers a stationary region in space through which fluid flows. This region is bounded by a control surface.  For instance, in the case of water flowing...
Valence Bond Theory and Hybridized Orbitals02:38

Valence Bond Theory and Hybridized Orbitals

According to valence bond theory, a covalent bond results when: (1) an orbital on one atom overlaps an orbital on a second atom, and (2) the single electrons in each orbital combine to form an electron pair. The strength of a covalent bond depends on the extent of overlap of the orbitals involved. Maximum overlap is possible when the orbitals overlap on a direct line between the two nuclei.
A σ bond (single bond in a Lewis structure) is a covalent bond in which the electron density is...
Graphing the Wave Function01:13

Graphing the Wave Function

Consider the wave equation for a sinusoidal wave moving in the positive x-direction. The wave equation is a function of both position and time. From the wave equation, two different graphs can be plotted.
The Quantum-Mechanical Model of an Atom02:45

The Quantum-Mechanical Model of an Atom

Shortly after de Broglie published his ideas that the electron in a hydrogen atom could be better thought of as being a circular standing wave instead of a particle moving in quantized circular orbits, Erwin Schrödinger extended de Broglie’s work by deriving what is now known as the Schrödinger equation. When Schrödinger applied his equation to hydrogen-like atoms, he was able to reproduce Bohr’s expression for the energy and, thus, the Rydberg formula governing hydrogen spectra. Schrödinger...
Molecular Models02:00

Molecular Models

Physical models representing molecular architectures of chemical compounds play essential roles in understanding chemistry. The use of molecular models makes it easier to visualize the structures and shapes of atoms and molecules.
Support Reactions in Three Dimensions01:27

Support Reactions in Three Dimensions

Support reactions in three dimensions help maintain the stability and equilibrium of various structures and systems. These reactions prevent the system from translating and rotating, ensuring the design can withstand external forces and perform its intended function efficiently and safely. Some of the supports providing support reactions in three dimensions are discussed below:
Ball and Socket Joint is one of the supports allowing free rotation about any axis. This freedom of rotation is...

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

CATOM: Causal Topology Map for Spatiotemporal Traffic Analysis With Granger Causality in Urban Areas.

IEEE transactions on visualization and computer graphics·2024
Same author

Two-Level Transfer Functions Using t-SNE for Data Segmentation in Direct Volume Rendering.

IEEE transactions on visualization and computer graphics·2024
Same author

Development of Polycistronic Baculovirus Surface Display Vectors to Simultaneously Express Viral Proteins of Porcine Reproductive and Respiratory Syndrome and Analysis of Their Immunogenicity in Swine.

Vaccines·2023
Same author

Development of Low-Cost Wireless Sensing System for Smart Ultra-High Performance Concrete.

Sensors (Basel, Switzerland)·2021
Same author

Saliency-Based Gaze Visualization for Eye Movement Analysis.

Sensors (Basel, Switzerland)·2021
Same author

Gaze Behavior Effect on Gaze Data Visualization at Different Abstraction Levels.

Sensors (Basel, Switzerland)·2021

Related Experiment Video

Updated: Jun 19, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

Interactive volume rendering of functional representations in quantum chemistry.

Yun Jang1, Ugo Varetto

  • 1ETH Zürich, Switzerland. jangy@inf.ethz.ch

IEEE Transactions on Visualization and Computer Graphics
|October 17, 2009
PubMed
Summary
This summary is machine-generated.

This study introduces a new GPU-accelerated visualization tool for quantum chemistry computations. It enables interactive exploration of complex simulation data by directly rendering volumetric representations without resampling.

More Related Videos

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors
10:29

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors

Published on: May 9, 2025

Related Experiment Videos

Last Updated: Jun 19, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors
10:29

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors

Published on: May 9, 2025

Area of Science:

  • Computational Chemistry
  • Scientific Visualization
  • Quantum Mechanics

Background:

  • Computational power has advanced chemistry simulations, generating diverse data types.
  • Current visualization tools for quantum chemistry results are limited, often restricted to atomic bonds or basic isosurfaces.
  • There is a need for advanced methods to visualize complex volumetric data from quantum chemistry.

Purpose of the Study:

  • To develop and evaluate a novel visualization tool for quantum chemistry computation results.
  • To enable direct, GPU-based visualization of volumetric representations without grid resampling.
  • To enhance the interactive exploration of large and complex quantum chemistry datasets.

Main Methods:

  • Direct evaluation of approximated wavefunctions using Gaussian-like primitive basis functions.
  • Slice-based volume rendering with 2D transfer functions.
  • Incorporation of volume clipping and illustrative rendering techniques for enhanced visualization.

Main Results:

  • The developed tool visualizes quantum chemistry results directly on the GPU, bypassing the need for resampling.
  • Elimination of data transfer and resampling resolution issues allows for interactive exploration.
  • The visualization effectively reveals and enhances intricate quantum chemistry structures.

Conclusions:

  • The new visualization approach significantly improves the exploration of quantum chemistry simulation data.
  • Direct GPU rendering eliminates performance bottlenecks associated with traditional methods.
  • This tool facilitates a deeper understanding of molecular structures and electron densities.