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

Leaky Scanning02:28

Leaky Scanning

5.7K
During most eukaryotic translation processes, the small 40S ribosome subunit scans an mRNA from its 5' end until it encounters the first start AUG codon. The large 60S ribosomal subunit then joins the smaller one to initiate protein synthesis. The location of the translation initiation is largely determined by the nucleotides near the start codon as there may be multiple translation initiation sites present on the mRNA.  Marilyn Kozak discovered that the sequence RCCAUGG (where R...
5.7K
Scanning Electron Microscopy01:07

Scanning Electron Microscopy

5.4K
A scanning electron microscope (SEM) is used to study the surface features of a sample by using an electron beam that scans the sample surface in a two-dimensional manner. Typically, areas between ~1 centimeter to 5 micrometers in width can be imaged. SEM can be used to image bacteria, viruses, tissues as well as larger samples like insects. Conventional SEM gives a magnification ranging from 20X to 30,000X and spatial resolution of 50 to 100 nanometers.
Fundamental Principles
Accelerated...
5.4K
Functional Groups02:45

Functional Groups

88.0K
Functional groups are a group of atoms with characteristic properties, which when linked to the carbon skeleton of a molecule, alter the properties of that molecule. For example, the presence of certain functional groups on a molecule will make them hydrophilic, whereas others will make them hydrophobic. These functional groups are an indispensable part of organic chemistry and important components of biological molecules, such as carbohydrates, proteins, lipids, and nucleic acids. Each...
88.0K
Functional Groups02:45

Functional Groups

24.3K
24.3K
Voltammetric Techniques: Linear-Scan (E vs Time)01:12

Voltammetric Techniques: Linear-Scan (E vs Time)

1.1K
Polarography is a classical voltammetric technique used to analyze electrochemical reactions. This method applies a linear potential sweep to a dropping mercury electrode (DME), and the resulting current is measured. A dropping mercury electrode is commonly used as the working electrode in polarography. It consists of a capillary tube filled with mercury, where the tiny droplet forms at the tip. This droplet continuously drops from the capillary, creating a new electrode surface for each...
1.1K
Functionalism01:11

Functionalism

2.5K
William James, John Dewey, and Charles Sanders Peirce were instrumental in founding functional psychology, which draws heavily from Darwin's theory of evolution by natural selection. This theory suggests that individual traits, including behaviors, are adapted to their environments through natural selection. At the heart of functionalism is the concept of adaptation, meaning that a trait enhances an individual's chances of survival and reproduction.
James envisioned psychology's...
2.5K

You might also read

Related Articles

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

Sort by
Same author

Combining phonon accuracy with high transferability in Gaussian approximation potential models.

The Journal of chemical physics·2020
Same author

Publisher's Note: "On the calculation of the bandgap of periodic solids with MGGA functionals using the total energy" [J. Chem. Phys. 151, 161102 (2019)].

The Journal of chemical physics·2019
Same author

Response to "Comment on 'Regularized SCAN functional'" [J. Chem. Phys. 151, 207101 (2019)].

The Journal of chemical physics·2019
Same author

On the calculation of the bandgap of periodic solids with MGGA functionals using the total energy.

The Journal of chemical physics·2019
Same author

The Lorentz sphere visualised.

The Journal of chemical physics·2019
Same author

Visualising crystal packing interactions in solid-state NMR: Concepts and applications.

The Journal of chemical physics·2017
Same journal

The influence of chirality on the macroscopic behavior of multiferroic smectic phases.

The Journal of chemical physics·2026
Same journal

Polaron transformed canonically consistent quantum master equation.

The Journal of chemical physics·2026
Same journal

The x-ray absorption spectrum of the propargyl radical C3H3●.

The Journal of chemical physics·2026
Same journal

Transient hydroperoxyalkyl intermediates (•QOOH) in isopentane oxidation. I. Conformer- and isomer-resolved infrared spectra.

The Journal of chemical physics·2026
Same journal

Transient hydroperoxyalkyl intermediates (•QOOH) in isopentane oxidation. II. Isomer-resolved unimolecular dynamics.

The Journal of chemical physics·2026
Same journal

Quantum state-to-state dynamics studies of the C(3P) + OH(X2Π) → CO(a3Π) + H(2S) reaction based on a new HCO(12A″) potential energy surface.

The Journal of chemical physics·2026
See all related articles

Related Experiment Video

Updated: Jan 25, 2026

Regular Care and Maintenance of a Zebrafish Danio rerio Laboratory: An Introduction
11:47

Regular Care and Maintenance of a Zebrafish Danio rerio Laboratory: An Introduction

Published on: November 18, 2012

91.9K

Regularized SCAN functional.

Albert P Bartók1, Jonathan R Yates2

  • 1Rutherford Appleton Laboratory, Scientific Computing Department Science and Technology Facilities Council, Didcot OX11 0QX, United Kingdom.

The Journal of Chemical Physics
|May 3, 2019
PubMed
Summary
This summary is machine-generated.

We modified the Strongly Constrained and Appropriately Normed (SCAN) density functional to fix numerical issues. This allows for reliable generation of pseudopotentials, maintaining SCAN

More Related Videos

Visually Based Characterization of the Incipient Particle Motion in Regular Substrates: From Laminar to Turbulent Conditions
11:51

Visually Based Characterization of the Incipient Particle Motion in Regular Substrates: From Laminar to Turbulent Conditions

Published on: February 22, 2018

9.1K
Investigating the Effect of Visual Imagery and Learning Shape-Audio Regularities on Bouba and Kiki
07:31

Investigating the Effect of Visual Imagery and Learning Shape-Audio Regularities on Bouba and Kiki

Published on: September 13, 2019

10.6K

Related Experiment Videos

Last Updated: Jan 25, 2026

Regular Care and Maintenance of a Zebrafish Danio rerio Laboratory: An Introduction
11:47

Regular Care and Maintenance of a Zebrafish Danio rerio Laboratory: An Introduction

Published on: November 18, 2012

91.9K
Visually Based Characterization of the Incipient Particle Motion in Regular Substrates: From Laminar to Turbulent Conditions
11:51

Visually Based Characterization of the Incipient Particle Motion in Regular Substrates: From Laminar to Turbulent Conditions

Published on: February 22, 2018

9.1K
Investigating the Effect of Visual Imagery and Learning Shape-Audio Regularities on Bouba and Kiki
07:31

Investigating the Effect of Visual Imagery and Learning Shape-Audio Regularities on Bouba and Kiki

Published on: September 13, 2019

10.6K

Area of Science:

  • Computational materials science
  • Quantum chemistry

Background:

  • The Strongly Constrained and Appropriately Normed (SCAN) density functional is widely used in electronic structure calculations.
  • Numerical instabilities in SCAN can hinder reliable pseudopotential generation.
  • Pseudopotentials, including projector augmented-wave (PAW) potentials, are crucial for efficient materials simulations.

Purpose of the Study:

  • To address numerical instabilities in the SCAN density functional.
  • To enable the automatic and reliable generation of pseudopotentials using a regularized SCAN functional.

Main Methods:

  • Modification of the functional form of the SCAN density functional.
  • Development of a regularized version of SCAN designed for numerical stability.
  • Testing and validation of the regularized SCAN functional's performance.

Main Results:

  • Successfully regularized the SCAN density functional, eliminating numerical instabilities.
  • Demonstrated that the regularized SCAN functional closely matches the original SCAN form.
  • Confirmed comparable performance of the regularized SCAN functional to the original SCAN.

Conclusions:

  • The proposed modifications ensure the numerical stability of the SCAN functional.
  • This advancement facilitates the reliable, automatic generation of pseudopotentials (including PAW potentials).
  • The regularized SCAN offers a stable and accurate alternative for electronic structure calculations.