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

Atomic Nuclei: Nuclear Relaxation Processes01:23

Atomic Nuclei: Nuclear Relaxation Processes

1.4K
In the absence of an external magnetic field, nuclear spin states are degenerate and randomly oriented. When a magnetic field is applied, the spins begin to precess and orient themselves along (lower energy) or against (higher energy) the direction of the field. At equilibrium, a slight excess population of spins exists in the lower energy state. Because the direction of the magnetic field is fixed as the z-axis,  the precessing magnetic moments are randomly oriented around the z-axis.
1.4K
Atomic Nuclei: Nuclear Spin State Population Distribution01:14

Atomic Nuclei: Nuclear Spin State Population Distribution

2.6K
Near absolute zero temperatures, in the presence of a magnetic field, the majority of nuclei prefer the lower energy spin-up state to the higher energy spin-down state. As temperatures increase, the energy from thermal collisions distributes the spins more equally between the two states. The Boltzmann distribution equation gives the ratio of the number of spins predicted in the spin −½ (N−) and spin +½ (N+) states.
2.6K
Atomic Nuclei: Types of Nuclear Relaxation01:28

Atomic Nuclei: Types of Nuclear Relaxation

1.2K
Nuclear relaxation restores the equilibrium population imbalance and can occur via spin–lattice or spin–spin mechanisms, which are first-order exponential decay processes.
In spin–lattice or longitudinal relaxation, the excited spins exchange energy with the surrounding lattice as they return to the lower energy level. Among several mechanisms that contribute to spin–lattice relaxation, magnetic dipolar interactions are significant. Here, the excited nucleus transfers...
1.2K
Nuclear Binding Energy02:13

Nuclear Binding Energy

15.2K
The difference between the calculated and experimentally measured masses is known as the mass defect of the atom. In the case of helium-4, the mass defect indicates a “loss” in mass of 4.0331 amu – 4.0026 amu = 0.0305 amu. The loss in mass accompanying the formation of an atom from protons, neutrons, and electrons is due to the conversion of that mass into energy that is evolved as the atom forms. The nuclear binding energy is the energy produced when the atoms’ nucleons are bound...
15.2K
Nuclear Overhauser Enhancement (NOE)01:06

Nuclear Overhauser Enhancement (NOE)

1.6K
Irradiation of a spin-active nucleus causes an increase or decrease in the signal intensity of neighboring nuclei that are not necessarily chemically bonded or involved in J-coupling. This phenomenon, called the nuclear Overhauser enhancement (NOE), results from through-space interactions between the nuclear spins. The NOE effect decreases with increasing internuclear distance and is generally not observed beyond 4 angstroms. In NOE, dipole-dipole interactions between neighboring spin-active...
1.6K
Nuclear Stability03:18

Nuclear Stability

24.2K
Protons and neutrons, collectively called nucleons, are packed together tightly in a nucleus. With a radius of about 10−15 meters, a nucleus is quite small compared to the radius of the entire atom, which is about 10−10 meters. Nuclei are extremely dense compared to bulk matter, averaging 1.8 × 1014 grams per cubic centimeter. If the earth’s density were equal to the average nuclear density, the earth’s radius would be only about 200 meters.
To hold positively charged protons together...
24.2K

You might also read

Related Articles

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

Sort by
Same author

Pilot of a blended learning model on medical students' communication skills in the context of digital innovations.

BMC medical education·2026
Same author

Dynamical insights on the role of supercoiling on DNA radiosensitivity.

Physics in medicine and biology·2026
Same author

Near-Infrared Fluorescence Lifetime Imaging Microscopy Reveals Loss of RPE Cell Body Polarity in Age-Related Macular Degeneration.

Investigative ophthalmology & visual science·2026
Same author

Direct observation of liquid-liquid phase coexistence in deeply supercooled water using an accurate polarizable multipole model.

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

Determining the Optimal Structural Resolution of Proteins through an Information-Theoretic Analysis of Their Conformational Ensemble.

Journal of chemical theory and computation·2026
Same author

Pneumologie (Stuttgart, Germany)·2025
Same journal

Analytic Nuclear Gradients Including Oriented External Electric Fields in a Molecule-Fixed Frame.

Journal of chemical theory and computation·2026
Same journal

Knowledge Distillation of a Protein Language Model Yields a Foundational Implicit Solvent Model.

Journal of chemical theory and computation·2026
Same journal

Generalizable Protein Folding Pathway Exploration with DA2-GRASP: Extending Beyond Miniproteins.

Journal of chemical theory and computation·2026
Same journal

Improving PCM in Protic Media: Markov State Models for TD-DFT Calculations.

Journal of chemical theory and computation·2026
Same journal

Efficient Coupled-Cluster Python Frameworks for Next-Generation GPUs: A Comparative Study of CuPy and PyTorch on the Hopper and Grace Hopper Architecture.

Journal of chemical theory and computation·2026
Same journal

Extending the MARTINI 3 Coarse-Grained Force Field to Polypeptoids.

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

Related Experiment Video

Updated: Mar 30, 2026

High-Resolution Neutron Spectroscopy to Study Picosecond-Nanosecond Dynamics of Proteins and Hydration Water
08:48

High-Resolution Neutron Spectroscopy to Study Picosecond-Nanosecond Dynamics of Proteins and Hydration Water

Published on: April 28, 2022

2.3K

Nuclear Quantum Effects in Water: A Multiscale Study.

Sebastian Fritsch1, Raffaello Potestio1, Davide Donadio1

  • 1Max Planck Institute for Polymer Research , Ackermannweg 10, 55128 Mainz, Germany.

Journal of Chemical Theory and Computation
|November 19, 2015
PubMed
Summary
This summary is machine-generated.

This study develops an efficient method to simulate nuclear quantum effects in liquid water. The findings reveal the significant impact of quantum mechanics on water

More Related Videos

Probing the Structure and Dynamics of Interfacial Water with Scanning Tunneling Microscopy and Spectroscopy
10:28

Probing the Structure and Dynamics of Interfacial Water with Scanning Tunneling Microscopy and Spectroscopy

Published on: May 27, 2018

9.6K
Quantification of Hydrogen Concentrations in Surface and Interface Layers and Bulk Materials through Depth Profiling with Nuclear Reaction Analysis
14:11

Quantification of Hydrogen Concentrations in Surface and Interface Layers and Bulk Materials through Depth Profiling with Nuclear Reaction Analysis

Published on: March 29, 2016

27.8K

Related Experiment Videos

Last Updated: Mar 30, 2026

High-Resolution Neutron Spectroscopy to Study Picosecond-Nanosecond Dynamics of Proteins and Hydration Water
08:48

High-Resolution Neutron Spectroscopy to Study Picosecond-Nanosecond Dynamics of Proteins and Hydration Water

Published on: April 28, 2022

2.3K
Probing the Structure and Dynamics of Interfacial Water with Scanning Tunneling Microscopy and Spectroscopy
10:28

Probing the Structure and Dynamics of Interfacial Water with Scanning Tunneling Microscopy and Spectroscopy

Published on: May 27, 2018

9.6K
Quantification of Hydrogen Concentrations in Surface and Interface Layers and Bulk Materials through Depth Profiling with Nuclear Reaction Analysis
14:11

Quantification of Hydrogen Concentrations in Surface and Interface Layers and Bulk Materials through Depth Profiling with Nuclear Reaction Analysis

Published on: March 29, 2016

27.8K

Area of Science:

  • Computational Chemistry
  • Physical Chemistry
  • Materials Science

Background:

  • Understanding nuclear quantum effects (NQE) in liquid water is crucial for accurately modeling its properties.
  • Traditional simulations often neglect NQE, leading to inaccuracies.
  • Ab initio simulations provide high accuracy but are computationally expensive.

Purpose of the Study:

  • To develop a computationally efficient method for investigating NQE in liquid water.
  • To derive an accurate effective force field for liquid water from ab initio data.
  • To quantify the impact of NQE on water's structural and dynamic properties.

Main Methods:

  • First-principles molecular dynamics (MD) simulations were used to generate reference data.
  • The force-matching technique was employed to derive an effective force field.
  • Path integral simulations were performed using the effective force field to include NQE.

Main Results:

  • The derived effective force field accurately reproduced the structural and dynamic properties of liquid water.
  • Path integral simulations revealed the significant influence of NQE on radial distribution functions and vibrational spectra.
  • Hydrogen bond fluctuations were found to be sensitive to nuclear quantum effects.

Conclusions:

  • The developed method provides a practical and computationally affordable route to study NQE in water.
  • This approach enables ab initio quality simulations of quantum effects at a reduced cost.
  • The findings highlight the importance of including NQE for a comprehensive understanding of liquid water.