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

Mechanisms of Heat Transfer II01:20

Mechanisms of Heat Transfer II

5.1K
In convection, thermal energy is carried by the large-scale flow of matter. Ocean currents and large-scale atmospheric circulation, which result from the buoyancy of warm air and water, transfer hot air from the tropics toward the poles and cold air from the poles toward the tropics. The Earth’s rotation interacts with those flows, causing the observed eastward flow of air in the temperate zones. Convection dominates heat transfer by air, and the amount of available space for the airflow...
5.1K
Mechanisms of Heat Transfer I01:14

Mechanisms of Heat Transfer I

7.0K
Just as interesting as the effects of heat transfer on a system are the methods by which the heat transfer occur. Whenever there is a temperature difference, heat transfer occurs. It may occur rapidly, such as through a cooking pan, or slowly, such as through the walls of a picnic ice box. So many processes involve heat transfer that it is hard to imagine a situation where no heat transfer occurs. Yet, every heat transfer takes place by only three methods: conduction, convection, and radiation.
7.0K
Mechanisms of Heat Transfer01:14

Mechanisms of Heat Transfer

2.0K
Heat transfer between the human body and its environment occurs through four main mechanisms: conduction, convection, radiation, and evaporation.
Conduction, accounting for approximately 3% of body heat loss at rest, is the process of exchanging heat between molecules of two materials in direct contact. This can result in both heat loss and gain. For instance, when the body is submerged in water, which conducts heat 20 times more effectively than air, it can either lose or gain significant...
2.0K
Mechanism of heat transfer01:19

Mechanism of heat transfer

2.2K
Understanding heat transfer mechanisms is essential for understanding how our bodies maintain balance in different environmental conditions. When the environment is thermoneutral, the body is in a state of balance, neither using nor releasing energy to maintain its core temperature. However, when the environment is not thermoneutral, the body employs four heat transfer mechanisms to maintain homeostasis: conduction, convection, evaporation, and radiation. These mechanisms facilitate heat...
2.2K
Thermal expansion and Thermal stress: Problem Solving01:27

Thermal expansion and Thermal stress: Problem Solving

2.3K
San Francisco's Golden Gate Bridge is exposed to temperatures ranging from -15 °C to 40 °C. At its coldest, the main span of the bridge is 1275 m long. Assuming that the bridge is made entirely of steel, what is the change in its length between these temperatures?
To solve the problem, first, identify the known and unknown quantities. The initial length (L) of the bridge is 1275 m, the coefficient of linear expansion (α) for steel is 12 x 10-6/°C, and the change in temperature (ΔT) is 55...
2.3K
Temperature and Thermal Equilibrium01:11

Temperature and Thermal Equilibrium

9.9K
Heat and temperature are essential concepts for everyone every day. The study of heat and temperature is part of an area of physics known as thermodynamics. It is not always easy to distinguish heat and temperature.
The concept of temperature has evolved from the common concepts of hot and cold. The scientific definition of temperature explains more than just our sense of hot and cold. Temperature is operationally defined as the quantity measured with a thermometer. Furthermore, temperature is...
9.9K

You might also read

Related Articles

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

Sort by
Same author

Artificial intelligence for quantum computing.

Nature communications·2025
Same author

Reproducibility of fixed-node diffusion Monte Carlo across diverse community codes: The case of water-methane dimer.

The Journal of chemical physics·2025
Same author

Surrogate optimization of variational quantum circuits.

Proceedings of the National Academy of Sciences of the United States of America·2025
Same author

Classical Preoptimization Approach for ADAPT-VQE: Maximizing the Potential of High-Performance Computing Resources to Improve Quantum Simulation of Chemical Applications.

Journal of chemical theory and computation·2025
Same author

Large-scale sparse wave function circuit simulator for applications with the variational quantum eigensolver.

The Journal of chemical physics·2025
Same author

A circuit-generated quantum subspace algorithm for the variational quantum eigensolver.

The Journal of chemical physics·2024
Same journal

Nuclear Gradients from Auxiliary-Field Quantum Monte Carlo and Their Applications in ML-Driven Geometry Optimization and Transition State Search.

Journal of chemical theory and computation·2026
Same journal

Correction to "Cluster-in-Molecule Local Correlation Method with an Accurate Distant Pair Correction for Large Systems".

Journal of chemical theory and computation·2026
Same journal

Machine-Learned Force Fields for Lattice Dynamics at Coupled-Cluster Level Accuracy.

Journal of chemical theory and computation·2026
Same journal

Systematic Molecularity-Dependent Entropy Errors in Continuum/RRHO Solution Thermochemistry: Origin and Correction.

Journal of chemical theory and computation·2026
Same journal

After 100 Years of Quantum Mechanics: Toward a Constructive Observation-Centered Perspective.

Journal of chemical theory and computation·2026
Same journal

Sample-Based Quantum Diagonalization Methods for Modeling the Photochemistry of Diazirine and Diazo Compounds.

Journal of chemical theory and computation·2026
See all related articles

Related Experiment Video

Updated: Mar 17, 2026

Temperature-Controlled Assembly and Characterization of a Droplet Interface Bilayer
10:11

Temperature-Controlled Assembly and Characterization of a Droplet Interface Bilayer

Published on: April 19, 2021

4.3K

Heat-Bath Configuration Interaction: An Efficient Selected Configuration Interaction Algorithm Inspired by Heat-Bath

Adam A Holmes1, Norm M Tubman2, C J Umrigar1

  • 1Laboratory of Atomic and Solid State Physics, Cornell University , Ithaca, New York 14853, United States.

Journal of Chemical Theory and Computation
|July 19, 2016
PubMed
Summary
This summary is machine-generated.

We developed a Heat-bath Configuration Interaction (HCI) algorithm for accurate quantum chemistry calculations. This method efficiently treats static and dynamic correlation, achieving high accuracy for complex molecular systems.

More Related Videos

Pool-Boiling Heat-Transfer Enhancement on Cylindrical Surfaces with Hybrid Wettable Patterns
07:32

Pool-Boiling Heat-Transfer Enhancement on Cylindrical Surfaces with Hybrid Wettable Patterns

Published on: April 10, 2017

9.5K
Surrogate Model Development for Digital Experiments in Welding
09:17

Surrogate Model Development for Digital Experiments in Welding

Published on: March 28, 2025

2.1K

Related Experiment Videos

Last Updated: Mar 17, 2026

Temperature-Controlled Assembly and Characterization of a Droplet Interface Bilayer
10:11

Temperature-Controlled Assembly and Characterization of a Droplet Interface Bilayer

Published on: April 19, 2021

4.3K
Pool-Boiling Heat-Transfer Enhancement on Cylindrical Surfaces with Hybrid Wettable Patterns
07:32

Pool-Boiling Heat-Transfer Enhancement on Cylindrical Surfaces with Hybrid Wettable Patterns

Published on: April 10, 2017

9.5K
Surrogate Model Development for Digital Experiments in Welding
09:17

Surrogate Model Development for Digital Experiments in Welding

Published on: March 28, 2025

2.1K

Area of Science:

  • Quantum Chemistry
  • Computational Physics
  • Electronic Structure Theory

Background:

  • Accurate electronic structure calculations are crucial for understanding molecular properties.
  • Full configuration interaction (FCI) provides exact solutions but is computationally intractable for all but the smallest systems.
  • Selected configuration interaction (SCI) methods offer a balance between accuracy and computational cost.

Purpose of the Study:

  • To introduce a novel, efficient, and accurate selected configuration interaction algorithm.
  • To enable high-accuracy quantum chemical calculations for larger and more complex molecular systems.
  • To demonstrate the performance of the new algorithm in treating both static and dynamic electron correlation.

Main Methods:

  • Development of a Heat-bath Configuration Interaction (HCI) algorithm, a deterministic analog of a heat-bath sampling approach.
  • Utilizing two key parameters to control the selection of determinants for variational wave function and perturbative energy corrections.
  • Application of the HCI algorithm to compute the potential energy curve of the carbon dimer and the electronic energy of the chromium dimer.

Main Results:

  • The HCI algorithm accurately treats both static and dynamic electron correlation.
  • Accurate potential energy curve for the multireference carbon dimer was obtained.
  • Full configuration interaction energy for the carbon and chromium dimers was recovered with high accuracy (<1 mHa) in minutes.
  • The method scales efficiently, handling systems with extremely large FCI spaces (up to 2x10^22 determinants).

Conclusions:

  • The Heat-bath Configuration Interaction (HCI) method provides a significant advancement in quantum chemistry.
  • HCI offers a computationally efficient and highly accurate approach for electronic structure calculations.
  • This method opens possibilities for studying larger, strongly correlated systems previously inaccessible to FCI.