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

The Quantum-Mechanical Model of an Atom02:45

The Quantum-Mechanical Model of an Atom

53.3K
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.
53.3K
Oscillations about an Equilibrium Position01:04

Oscillations about an Equilibrium Position

5.9K
Stability is an important concept in oscillation. If an equilibrium point is stable, a slight disturbance of an object that is initially at the stable equilibrium point will cause the object to oscillate around that point. For an unstable equilibrium point, if the object is disturbed slightly, it will not return to the equilibrium point. There are three conditions for equilibrium points—stable, unstable, and half-stable. A half-stable equilibrium point is also unstable, but is named so...
5.9K
2D NMR: Overview of Heteronuclear Correlation Techniques01:18

2D NMR: Overview of Heteronuclear Correlation Techniques

374
Heteronuclear correlation spectroscopy is an analytical technique that investigates the coupling between different types of nuclei, often a proton and an X-nucleus, such as carbon-13 or nitrogen-15. This method is commonly used in nuclear magnetic resonance (NMR) spectroscopy to gain insights into complex chemical compounds' structural and compositional aspects. A typical heteronuclear correlation spectrum displays X-nucleus chemical shifts on one axis and a proton spectrum on the other...
374
Molecular Orbital Theory I02:35

Molecular Orbital Theory I

35.6K
Overview of Molecular Orbital Theory
35.6K
Propagation of Uncertainty from Systematic Error01:10

Propagation of Uncertainty from Systematic Error

1.0K
The atomic mass of an element varies due to the relative ratio of its isotopes. A sample's relative proportion of oxygen isotopes influences its average atomic mass. For instance, if we were to measure the atomic mass of oxygen from a sample, the mass would be a weighted average of the isotopic masses of oxygen in that sample. Since a single sample is not likely to perfectly reflect the true atomic mass of oxygen for all the molecules of oxygen on Earth, the mass we obtain from this...
1.0K
2D NMR: Heteronuclear Single-Quantum Correlation Spectroscopy (HSQC)01:19

2D NMR: Heteronuclear Single-Quantum Correlation Spectroscopy (HSQC)

1.0K
Heteronuclear single-quantum correlation spectroscopy (HSQC) is a 2D NMR technique that reveals one-bond correlations between hydrogen and a heteronucleus. The HSQC experiment is similar to the heteronuclear correlation experiment (HETCOR) but is more sensitive. In the HSQC spectrum, the proton chemical shift is plotted on the horizontal F2 axis, while the 13C chemical shift is plotted on the vertical F1 axis. The corresponding proton and 13C spectra are also shown. The HSQC contour plot does...
1.0K

You might also read

Related Articles

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

Sort by
Same author

Quantifying Gibbs measures of disordered crystals up to the solid-liquid phase transition.

PNAS nexus·2026
Same author

Non-Fickian diffusion within assemblies of the intrinsically disordered protein β-casein.

Proceedings of the National Academy of Sciences of the United States of America·2026
Same author

Probing the microscopic origin of toughness in multiple polymer networks.

Proceedings of the National Academy of Sciences of the United States of America·2026
Same author

Approximation of magnetic Schrödinger operators with <math><mi>δ</mi></math> -interactions supported on networks.

Letters in mathematical physics·2026
Same author

On the geometry of topological defects in glasses.

Nature communications·2025
Same author

Geometrical factors govern ballistic energy dissipation of polymeric nanoscale thin films.

Soft matter·2025
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: Oct 17, 2025

Quantum State Engineering of Light with Continuous-wave Optical Parametric Oscillators
09:23

Quantum State Engineering of Light with Continuous-wave Optical Parametric Oscillators

Published on: May 30, 2014

14.7K

Time correlation functions for quantum systems: Validating Bayesian approaches for harmonic oscillators and beyond.

Vladislav Efremkin1, Jean-Louis Barrat1, Stefano Mossa2

  • 1Univ. Grenoble Alpes, CNRS, LIPhy, 38000 Grenoble, France.

The Journal of Chemical Physics
|October 9, 2021
PubMed
Summary
This summary is machine-generated.

Calculating quantum transport properties in solids is now easier. New methods improve Path Integral Monte Carlo (PIMC) data accuracy and streamline real-time calculations, enabling unbiased, quantum mechanical analysis of thermal conductivity.

More Related Videos

Generation and Coherent Control of Pulsed Quantum Frequency Combs
06:42

Generation and Coherent Control of Pulsed Quantum Frequency Combs

Published on: June 8, 2018

9.2K
A Photonic System for Generating Unconditional Polarization-Entangled Photons Based on Multiple Quantum Interference
07:56

A Photonic System for Generating Unconditional Polarization-Entangled Photons Based on Multiple Quantum Interference

Published on: September 5, 2019

8.7K

Related Experiment Videos

Last Updated: Oct 17, 2025

Quantum State Engineering of Light with Continuous-wave Optical Parametric Oscillators
09:23

Quantum State Engineering of Light with Continuous-wave Optical Parametric Oscillators

Published on: May 30, 2014

14.7K
Generation and Coherent Control of Pulsed Quantum Frequency Combs
06:42

Generation and Coherent Control of Pulsed Quantum Frequency Combs

Published on: June 8, 2018

9.2K
A Photonic System for Generating Unconditional Polarization-Entangled Photons Based on Multiple Quantum Interference
07:56

A Photonic System for Generating Unconditional Polarization-Entangled Photons Based on Multiple Quantum Interference

Published on: September 5, 2019

8.7K

Area of Science:

  • Condensed Matter Physics
  • Quantum Mechanics
  • Computational Materials Science

Background:

  • The quantum harmonic oscillator is crucial for calculating dielectric crystal thermal properties via phonons.
  • Path Integral Monte Carlo (PIMC) and Path Integral Molecular Dynamics (PIMC) are powerful for stochastic thermodynamic calculations.
  • Calculating transport properties, like thermal conductivity, from PIMC data is challenging due to analytic continuation and model dependence.

Purpose of the Study:

  • To address the difficulties in calculating quantum transport properties from PIMC data.
  • To develop improved estimators for current correlations, reducing PIMC data variance.
  • To introduce a novel statistical approach for the inversion problem, combining classical methods with statistical learning.

Main Methods:

  • Devised improved estimators for current correlations to significantly reduce the variance of PIMC data.
  • Developed a statistical approach for the inversion problem, integrating the stochastic maximum entropy method with statistical learning theory.
  • Tested the methodology on a single harmonic oscillator, a collection of oscillators with varying frequencies, and a particle in a double-well potential.

Main Results:

  • Substantially reduced the variance of PIMC data for current correlations.
  • Provided a robust statistical workflow for inverting imaginary-time correlations to real-time response functions.
  • Demonstrated the effectiveness of the new approach on model systems, indicating strong performance for complex potentials.

Conclusions:

  • Established a foundation for unbiased, fully quantum mechanical calculations of transport properties in solids.
  • The improved PIMC estimators and novel inversion workflow overcome key limitations in calculating quantum transport.
  • This work paves the way for more accurate theoretical predictions of thermal conductivity and other transport phenomena in materials.