Search research articles

ABOUT JoVE

Overview Leadership Blog JoVE Help Center

AUTHORS

Publishing Process Editorial Board Scope & Policies Peer Review FAQ Submit

LIBRARIANS

Testimonials Subscriptions Access Resources Library Advisory Board FAQ

RESEARCH

JoVE Journal Methods Collections JoVE Encyclopedia of Experiments Archive

EDUCATION

JoVE Core JoVE Business JoVE Science Education JoVE Lab Manual Faculty Resource Center Faculty Site

Terms & Conditions of Use

Related Concept Videos

Molecular Models

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.

Molecular Comparison of Gases, Liquids, and Solids

Molecular Comparison of Gases, Liquids, and Solids

Particles in a solid are tightly packed together (fixed shape) and often arranged in a regular pattern; in a liquid, they are close together with no regular arrangement (no fixed shape); in a gas, they are far apart with no regular arrangement (no fixed shape). Particles in a solid vibrate about fixed positions (cannot flow) and do not generally move in relation to one another; in a liquid, they move past each other (can flow) but remain in essentially constant contact; in a gas, they move...

Distribution of Molecular Speeds

Distribution of Molecular Speeds

The motion of molecules in a gas is random in magnitude and direction for individual molecules, but a gas of many molecules has a predictable distribution of molecular speeds. This predictable distribution of molecular speeds is known as the Maxwell-Boltzmann distribution. The distribution of molecular speeds in liquids is comparable to that of gases but not identical and can help to understand the phenomenon of the boiling and vapor pressure of a liquid. Consider that a molecule requires a...

Mechanistic Models: Compartment Models in Algorithms for Numerical Problem Solving

Mechanistic Models: Compartment Models in Algorithms for Numerical Problem Solving

Mechanistic models play a crucial role in algorithms for numerical problem-solving, particularly in nonlinear mixed effects modeling (NMEM). These models aim to minimize specific objective functions by evaluating various parameter estimates, leading to the development of systematic algorithms. In some cases, linearization techniques approximate the model using linear equations.
In individual population analyses, different algorithms are employed, such as Cauchy's method, which uses a...

Parallel Processing

Parallel Processing

The brain processes sensory information rapidly due to parallel processing, which involves sending data across multiple neural pathways at the same time. This method allows the brain to manage various sensory qualities, such as shapes, colors, movements, and locations, all concurrently. For instance, when observing a forest landscape, the brain simultaneously processes the movement of leaves, the shapes of trees, the depth between them, and the various shades of green. This enables a quick and...

You might also read

Related Articles

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

Sort by

Same author

Appeals to environmental protection and farmer adoption of sustainable natural resource management - A case study of Kaya, Burkina Faso.

Journal of environmental management·2025

Same author

Key drivers of cloud response to surface-active organics.

Nature communications·2019

Same author

Velocity map imaging of inelastic and elastic low energy electron scattering in organic nanoparticles.

The Journal of chemical physics·2019

Same author

Resonance-stabilized hydrocarbon-radical chain reactions may explain soot inception and growth.

Science (New York, N.Y.)·2018

Same author

Activation to the transition state: reactant and solvent energy flow for a model SN2 reaction in water.

Journal of the American Chemical Society·2015

Same author

Stochastic methods for aerosol chemistry: a compact molecular description of functionalization and fragmentation in the heterogeneous oxidation of squalane aerosol by OH radicals.

Physical chemistry chemical physics : PCCP·2015

Search research articles

Related Experiment Video

Updated: May 28, 2026

Novel 3D/VR Interactive Environment for MD Simulations, Visualization and Analysis

Novel 3D/VR Interactive Environment for MD Simulations, Visualization and Analysis

Published on: December 18, 2014

Fast space-filling molecular graphics using dynamic partitioning among parallel processors.

B J Gertner¹, R M Whitnell, K R Wilson

¹Department of Chemistry, University of California, San Diego, La Jolla 92093-0339.

Journal of Molecular Graphics

|September 1, 1991

Summary

This summary is machine-generated.

This study introduces a new algorithm for creating high-quality molecular graphics, ideal for molecular dynamics animations. The efficient, multiprocessor approach speeds up the generation of numerous detailed images.

More Related Videos

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

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

Published on: April 12, 2019

Rapid in-silico Battery Electrolyte Electrochemical Reaction Generation using 3T-VASP Multi-Scale Energy Minimization

Rapid in-silico Battery Electrolyte Electrochemical Reaction Generation using 3T-VASP Multi-Scale Energy Minimization

Published on: August 22, 2025

Related Experiment Videos

Last Updated: May 28, 2026

Novel 3D/VR Interactive Environment for MD Simulations, Visualization and Analysis

Novel 3D/VR Interactive Environment for MD Simulations, Visualization and Analysis

Published on: December 18, 2014

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

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

Published on: April 12, 2019

Rapid in-silico Battery Electrolyte Electrochemical Reaction Generation using 3T-VASP Multi-Scale Energy Minimization

Rapid in-silico Battery Electrolyte Electrochemical Reaction Generation using 3T-VASP Multi-Scale Energy Minimization

Published on: August 22, 2025

Area of Science:

Computational chemistry
Computer graphics
Scientific visualization

Background:

Molecular dynamics simulations generate vast datasets requiring efficient visualization.
Existing molecular graphics algorithms may not scale well for large-scale animation.
High-quality rendering is crucial for accurate interpretation of molecular behavior.

Purpose of the Study:

To develop a novel algorithm for efficient, high-quality space-filling molecular graphics generation.
To optimize image generation for molecular dynamics animations.
To leverage multiprocessor systems for accelerated rendering.

Main Methods:

Representing atoms as spheres with antialiased edges and smooth blending for intersections.
Implementing a pixel-by-pixel rendering approach based on a generalized lighting model.
Utilizing a dynamic repartitioning strategy for load balancing across multiple processors.

Main Results:

The algorithm produces high-quality, space-filling molecular graphics with smooth edges.
Dynamic processor reallocation efficiently handles varying image complexity and system load.
Performance scales effectively with an increasing number of processors, enabling fast image generation.

Conclusions:

The novel graphics algorithm combined with dynamic multiprocessor implementation significantly accelerates the creation of molecular dynamics animations.
This approach facilitates the generation of a large number of high-quality images essential for detailed molecular motion studies.
The method offers an efficient solution for visualizing complex molecular systems.