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

Atomic Force Microscopy

Atomic Force Microscopy

Atomic force microscopy (AFM) is a type of scanning probe microscopy that can analyze topographic details of various specimens like ceramics, glass, polymers, and biological samples. AFM offers over 1000 times more resolution than the optical imaging system. Images generated from AFM are three-dimensional surface profiles, offering an advantage over the flat, two-dimensional images from other imaging techniques.
The AFM Probe
The probe is regarded as the heart of any AFM setup and comprises the...

You might also read

Related Articles

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

Sort by

Same author

Stabilization of Cu Nanoclusters on Hydroxylated SiO<sub>2</sub>: Static and Dynamic Contributions from Metal-Support Interactions.

Langmuir : the ACS journal of surfaces and colloids·2026

Same author

In Situ TEM Investigation of Cu/ZnO Interface Formation Mechanisms Derived from the Decomposition of Copper-Zinc Hydroxycarbonate Precursors.

ACS applied materials & interfaces·2026

Same author

Industrial-Scale Synthesis of Green Ammonia over Lanthanum Coated Iron-Based Catalysts under Mild Conditions.

ACS applied materials & interfaces·2026

Same author

A vapor-deposited nanotwinned copper thin film enhances C<sub>2</sub> production in CO<sub>2</sub> electroreduction.

Chemical communications (Cambridge, England)·2026

Same author

Stable Negatively Curved Polycyclic Hydrocarbon Radical: A Molecular Segment of Magnetic Carbon Schwarzite.

Journal of the American Chemical Society·2026

Same author

Roles of π‑Conjugation and Intermolecular Interactions in Molecular Raman, Fluorescence, and Lifetime Spectroscopy.

ACS omega·2026

Same journal

Complementing Onsager's Conductivity Theory by Grotthuss Mechanism Mitigation via Ion-Induced Depletion of Hydrogen-Bond-Donating Water.

Journal of chemical theory and computation·2026

Same journal

Microscopic Stress in Biomembranes: A Perspective on Key Concepts, Methods, and Applications.

Journal of chemical theory and computation·2026

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

See all related articles

Search research articles

Related Experiment Video

Updated: May 14, 2025

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

Boosting ReaxFF Reactive Force Field Optimization with Adaptive Sampling.

Shuang Li¹, Siyuan Yang¹, Sibing Chen¹

¹Institute of Molecular Plus, School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072, China.

Journal of Chemical Theory and Computation

|April 30, 2025

Summary

This summary is machine-generated.

Developing accurate ReaxFF reactive force fields requires high-quality initial guesses. Our adaptive sampling method efficiently finds these guesses, enabling precise nanoscale chemical reaction modeling.

More Related Videos

15N CPMG Relaxation Dispersion for the Investigation of Protein Conformational Dynamics on the µs-ms Timescale

15N CPMG Relaxation Dispersion for the Investigation of Protein Conformational Dynamics on the µs-ms Timescale

Published on: April 19, 2021

Author Spotlight: In Silico Creation and Impact of Carbonylated Amino Acids on Protein Structure and Function

Author Spotlight: In Silico Creation and Impact of Carbonylated Amino Acids on Protein Structure and Function

Published on: April 26, 2024

Related Experiment Videos

Last Updated: May 14, 2025

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

15N CPMG Relaxation Dispersion for the Investigation of Protein Conformational Dynamics on the µs-ms Timescale

15N CPMG Relaxation Dispersion for the Investigation of Protein Conformational Dynamics on the µs-ms Timescale

Published on: April 19, 2021

Author Spotlight: In Silico Creation and Impact of Carbonylated Amino Acids on Protein Structure and Function

Author Spotlight: In Silico Creation and Impact of Carbonylated Amino Acids on Protein Structure and Function

Published on: April 26, 2024

Area of Science:

Materials Science
Computational Chemistry
Chemical Physics

Background:

Accurate ReaxFF reactive force field parametrization is crucial for nanoscale simulations.
Initial guess quality significantly impacts parametrization accuracy, especially in high-dimensional spaces.

Purpose of the Study:

To develop an adaptive sampling method for efficiently identifying high-quality initial guesses in ReaxFF force field optimization.
To parametrize the Cu/H/O ReaxFF force field using the proposed adaptive sampling framework.

Main Methods:

Adaptive sampling: uniform sampling followed by iterative refinement.
Application of three optimization approaches to parametrize the Cu/H/O ReaxFF force field.
Simulation of copper surface reconstruction with water molecules using the developed force field.

Main Results:

The adaptive sampling method efficiently identified high-quality initial guesses.
The developed Cu/H/O ReaxFF force field accurately reproduced experimental observations.
Copper surface reconstruction revealed a stable bilayer structure driven by OH intrusion.

Conclusions:

The adaptive sampling approach is a powerful tool for developing reliable ReaxFF reactive force fields.
High-precision nanoscale chemical reaction modeling is enabled by this method.
The developed force field enhances understanding of copper-water interactions.