Jove
Visualize
联系我们

相关概念视频

X-ray Crystallography02:18

X-ray Crystallography

23.7K
The size of the unit cell and the arrangement of atoms in a crystal may be determined from measurements of the diffraction of X-rays by the crystal, termed X-ray crystallography.
Diffraction
Diffraction is the change in the direction of travel experienced by an electromagnetic wave when it encounters a physical barrier whose dimensions are comparable to those of the wavelength of the light. X-rays are electromagnetic radiation with wavelengths about as long as the distance between neighboring...
23.7K
X-ray Diffraction of Biological Samples01:10

X-ray Diffraction of Biological Samples

3.8K
X-ray diffraction or XRD is an analytical tool that utilizes X-rays to study ordered structures such as crystalline organic and inorganic samples, polycrystalline materials, proteins, carbohydrates, and drugs.
According to Bragg's law, when X-rays strike the sample positioned on a stage, the rays are  scattered by the electron clouds around the sample atoms. The  X-ray diffraction or scattering is caused by constructive interference of the X-ray waves that reflect off the internal...
3.8K
Electron Microscope Tomography and Single-particle Reconstruction01:07

Electron Microscope Tomography and Single-particle Reconstruction

2.3K
Transmission electron microscopy (TEM) can be used to determine the 3D structure of biological samples with the help of techniques such as electron microscope tomography and single-particle reconstruction. While single-particle reconstruction can examine macromolecules and macromolecular complexes in vitro conditions only, tomography permits the study of cell components or small cells in vivo.
Electron Tomography
Electron tomography can be performed either in TEM or STEM (scanning transmission...
2.3K
Structures of Solids02:22

Structures of Solids

13.8K
Solids in which the atoms, ions, or molecules are arranged in a definite repeating pattern are known as crystalline solids. Metals and ionic compounds typically form ordered, crystalline solids. A crystalline solid has a precise melting temperature because each atom or molecule of the same type is held in place with the same forces or energy. Amorphous solids or non-crystalline solids (or, sometimes, glasses) which lack an ordered internal structure and are randomly arranged. Substances that...
13.8K

您也可能阅读

相关文章

通过共同作者、期刊和引用图与本文相关的文章。

排序
Same author

AGAPI-Agents: An Open-Access Agentic AI Platform for Accelerated Materials Design on AtomGPT.org.

The journal of physical chemistry letters·2026
Same author

CHIPS-TB: Evaluating Tight-Binding Models for Metals, Semiconductors, and Insulators.

The journal of physical chemistry. C, Nanomaterials and interfaces·2026
Same author

SlaKoNet: A Unified Slater-Koster Tight-Binding Framework Using Neural Network Infrastructure for the Periodic Table.

The journal of physical chemistry letters·2025
Same author

Intrinsic direct air capture.

Chemical science·2025
Same author

BenchQC: A Benchmarking Toolkit for Quantum Computation.

Journal of computational chemistry·2025
Same author

MicroscopyGPT: Generating Atomic-Structure Captions from Microscopy Images of 2D Materials with Vision-Language Transformers.

The journal of physical chemistry letters·2025
Same journal

Low-Temperature Deposition of Polycrystalline ε-Ga<sub>2</sub>O<sub>3</sub> for Deep Ultraviolet Perceptual Photodetection.

The journal of physical chemistry letters·2026
Same journal

A Unified Framework for Co-optimizing Activity, Selectivity, and Stability in Single-Atom Alloy Catalysts for CO<sub>2</sub> Electroreduction.

The journal of physical chemistry letters·2026
Same journal

Spiking without Resets: Continuous Integrate-and-Fire Dynamics in Neuronal Circuits.

The journal of physical chemistry letters·2026
Same journal

Regulating Electron-Density Distribution of Pyridine Derivative Passivators for Efficient Carbon-Based CsPbI<sub>3-x</sub>Br<sub><i>x</i></sub> Perovskite Solar Cells.

The journal of physical chemistry letters·2026
Same journal

Revealing Metal-Node-Dependent Intralayer Conjugation and Thickness-Dependent Interlayer Interactions in Photoconductive MOFs.

The journal of physical chemistry letters·2026
Same journal

Solvent Engineering of Quasi-2D Dion-Jacobson Perovskites Reveals Narrow Composition Tolerance for Indoor Photovoltaics.

The journal of physical chemistry letters·2026
查看所有相关文章
JoVE
x logofacebook logolinkedin logoyoutube logo
关于 JoVE
概览领导团队博客JoVE 帮助中心
作者
出版流程编辑委员会范围与政策同行评审常见问题投稿
图书馆员
用户评价订阅访问资源图书馆顾问委员会常见问题
研究
JoVE JournalMethods CollectionsJoVE Encyclopedia of Experiments存档
教育
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab Manual教师资源中心教师网站
使用条款与条件
隐私政策
政策

相关实验视频

Updated: May 27, 2025

X-ray Powder Diffraction in Conservation Science: Towards Routine Crystal Structure Determination of Corrosion Products on Heritage Art Objects
09:16

X-ray Powder Diffraction in Conservation Science: Towards Routine Crystal Structure Determination of Corrosion Products on Heritage Art Objects

Published on: June 8, 2016

15.8K

DiffractGPT:使用生成式预训练变压器从X射线衍射模式确定原子结构.

Kamal Choudhary1

  • 1Material Measurement Laboratory, National Institute of Standards and Technology, Gaithersburg, Maryland 20899, United States.

The journal of physical chemistry letters
|February 20, 2025
PubMed
概括
此摘要是机器生成的。

DiffractGPT是一种生成性AI模型,从X射线衍射模式预测晶体结构. 纳入化学信息显著提高了材料发现的准确性.

更多相关视频

Three-Dimensional Particle Shape Analysis Using X-ray Computed Tomography: Experimental Procedure and Analysis Algorithms for Metal Powders
10:10

Three-Dimensional Particle Shape Analysis Using X-ray Computed Tomography: Experimental Procedure and Analysis Algorithms for Metal Powders

Published on: December 4, 2020

1.8K
X-Ray Crystallography to Study the Oligomeric State Transition of the Thermotoga maritima M42 Aminopeptidase TmPep1050
11:27

X-Ray Crystallography to Study the Oligomeric State Transition of the Thermotoga maritima M42 Aminopeptidase TmPep1050

Published on: May 13, 2020

3.9K

相关实验视频

Last Updated: May 27, 2025

X-ray Powder Diffraction in Conservation Science: Towards Routine Crystal Structure Determination of Corrosion Products on Heritage Art Objects
09:16

X-ray Powder Diffraction in Conservation Science: Towards Routine Crystal Structure Determination of Corrosion Products on Heritage Art Objects

Published on: June 8, 2016

15.8K
Three-Dimensional Particle Shape Analysis Using X-ray Computed Tomography: Experimental Procedure and Analysis Algorithms for Metal Powders
10:10

Three-Dimensional Particle Shape Analysis Using X-ray Computed Tomography: Experimental Procedure and Analysis Algorithms for Metal Powders

Published on: December 4, 2020

1.8K
X-Ray Crystallography to Study the Oligomeric State Transition of the Thermotoga maritima M42 Aminopeptidase TmPep1050
11:27

X-Ray Crystallography to Study the Oligomeric State Transition of the Thermotoga maritima M42 Aminopeptidase TmPep1050

Published on: May 13, 2020

3.9K

科学领域:

  • 材料科学 材料科学 材料科学
  • 晶体学 晶体学是指结晶学.
  • 人工智能的人工智能

背景情况:

  • 从粉末衍射确定晶体结构是具有挑战性的.
  • 需要大量的专业知识和计算能力.
  • 目前的方法往往是缓慢的,资源密集的.

研究的目的:

  • 介绍DiffractGPT,一个生成预训练的变压器模型.
  • 能够从X射线衍射 (XRD) 模式中快速准确地预测原子结构.
  • 促进材料的反向设计.

主要方法:

  • 在数千个原子结构上训练了DiffractGPT,并从JARVIS-DFT数据集中模拟了XRD模式.
  • 评估的模型性能与或没有化学信息 (元素列表,化学公式).
  • 使用生成式预训练变压器架构.

主要成果:

  • DiffractGPT从XRD模式准确地预测了晶体结构.
  • 结合化学信息显著提高了预测准确度.
  • 该模型展示了快速而简单的训练.

结论:

  • 在自动化晶体结构确定方面,DiffractGPT提供了显著的进展.
  • 为数据驱动的材料发现和设计提供了一个强大的工具.
  • 桥梁计算,数据科学和实验社区.