Jove
Visualize
联系我们
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

相关概念视频

Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses08:55

Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses

8.9K
Here, we present a protocol to describe ex situ and in situ investigations of structural transformations in metallic glasses. We employed nuclear-based analytical methods which inspect hyperfine interactions. We demonstrate the applicability of Mössbauer spectrometry and nuclear forward scattering of synchrotron radiation during temperature-driven...
8.9K
Demonstrating the Simplicity and In Situ Temperature Monitoring of the Mechanochemical Synthesis of Metal Chalcogenides Suitable for Thermoelectrics04:09

Demonstrating the Simplicity and In Situ Temperature Monitoring of the Mechanochemical Synthesis of Metal Chalcogenides Suitable for Thermoelectrics

756
Here, we present a protocol to synthesize two metal chalcogenides (Cu1.8S and SnSe) suitable for thermoelectrics via an ultrafast (second-range), solvent-free, and one-step mechanochemical synthesis using elemental precursors. Simultaneously, we demonstrate the monitoring of the temperature in the jar during planetary ball milling in situ by the newly developed device.
756
Ionic Crystal Structures02:42

Ionic Crystal Structures

16.8K
Ionic crystals consist of two or more different kinds of ions that usually have different sizes. The packing of these ions into a crystal structure is more complex than the packing of metal atoms that are the same size.
Most monatomic ions behave as charged spheres, and their attraction for ions of opposite charge is the same in every direction. Consequently, stable structures for ionic compounds result (1) when ions of one charge are surrounded by as many ions as possible of the opposite...
16.8K
Fully Autonomous Characterization and Data Collection from Crystals of Biological Macromolecules07:11

Fully Autonomous Characterization and Data Collection from Crystals of Biological Macromolecules

7.3K
Here, we describe how to use the automated screening and data collection options available at some synchrotron beamlines. Scientists send cryocooled samples to the synchrotron, and the diffraction properties are screened, the data sets are collected and processed and, where possible, a structure solution is carried out—all without human...
7.3K
Preparation of Large-area Vertical 2D Crystal Hetero-structures Through the Sulfurization of Transition Metal Films for Device Fabrication08:50

Preparation of Large-area Vertical 2D Crystal Hetero-structures Through the Sulfurization of Transition Metal Films for Device Fabrication

9.6K
Through the sulfurization of pre-deposited transition metals, large-area and vertical 2D crystal hetero-structures can be fabricated. The film transferring and device fabrication procedures are also demonstrated in this...
9.6K
Thermochemical Studies of Ni(II) and Zn(II) Ternary Complexes Using Ion Mobility-Mass Spectrometry16:11

Thermochemical Studies of Ni(II) and Zn(II) Ternary Complexes Using Ion Mobility-Mass Spectrometry

2.7K
This article describes an experimental protocol using electrospray-ion mobility-mass spectrometry, semi-empirical quantum calculations, and energy-resolved threshold collision-induced dissociation to measure the relative thermochemistry of the dissociation of related ternary metal...
2.7K

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

Losing the hand on the wheel: AI trust, decision delegation, and displacement of responsibility in financial decision-making.

Acta psychologica·2026
Same author

Platonic representation of foundation machine learning interatomic potentials.

Nature machine intelligence·2026
Same author

Toward high-stability quantitative carriers: development of superparamagnetic nanocarriers and a high-sensitivity mixing-frequency narrow-band magnetic particle imaging detection system.

Frontiers in pharmacology·2026
Same author

Catalyst poisoning influences from various functional groups of energy carriers towards electrochemical oxidation reactions on non-noble high-entropy alloy anodes in acidic media.

Science and technology of advanced materials·2026
Same author

Interfacial density difference governs ice nucleation beyond lattice match.

The Journal of chemical physics·2026
Same author

Chirality-Induced Spin Optimization in Lead-Free Metal-Halide Hybrids for High-Performance Flexible X-Ray Detectors.

Angewandte Chemie (International ed. in English)·2026

相关实验视频

Updated: Jan 20, 2026

Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses
08:55

Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses

Published on: June 7, 2018

8.9K

数据驱动的晶体结构预测对于三级金属素化物.

Tianshu Li1, Hyunsoo Park1, Aron Walsh1

  • 1Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ, U.K.

Chemistry of materials : a publication of the American Chemical Society
|January 19, 2026
PubMed
概括

生成型人工智能 (genAI) 模型加速了稳定的无机晶体结构的发现,在预测多样化,低能材料 (如金属基化物) 的传统方法中表现优于传统方法.

科学领域:

  • 材料科学 材料科学 材料科学
  • 计算化学的计算化学
  • 晶体学 晶体学是指结晶学.

背景情况:

  • 有效地发现稳定的无机晶体结构对于材料创新至关重要.
  • 数据驱动的方法越来越多地用于加速的晶体结构预测.

研究的目的:

  • 为了比较加速晶体结构预测的数据驱动方法.
  • 评估生成人工智能 (genAI) 与用于识别新型无机材料的传统方法相比.

主要方法:

  • 使用替代,生成AI (Chemeleon) 和进化全球优化进行晶体结构预测.
  • 优化具有机器学习原子间潜力的候选结构,用于能量估计和不确定性量化.
  • 适用于三元金属素化合物,包括硫化物.

主要成果:

  • 在识别多样化,低能耗结构方面,genAI方法与传统方法相匹配,甚至超越了它们.
  • 机器学习潜能为候选结构提供了可靠的能量估计和不确定性量化.
  • 成功地应用于技术相关的材料,如Na2SiS3,RbPS3和KMo2S4.4.

结论:

  • 生成模型显示,对于无机材料的可扩展结构探索,有显著的前景.

更多相关视频

Demonstrating the Simplicity and In Situ Temperature Monitoring of the Mechanochemical Synthesis of Metal Chalcogenides Suitable for Thermoelectrics
04:09

Demonstrating the Simplicity and In Situ Temperature Monitoring of the Mechanochemical Synthesis of Metal Chalcogenides Suitable for Thermoelectrics

Published on: August 30, 2024

756
Fully Autonomous Characterization and Data Collection from Crystals of Biological Macromolecules
07:11

Fully Autonomous Characterization and Data Collection from Crystals of Biological Macromolecules

Published on: March 22, 2019

7.3K

相关实验视频

Last Updated: Jan 20, 2026

Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses
08:55

Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses

Published on: June 7, 2018

8.9K
Demonstrating the Simplicity and In Situ Temperature Monitoring of the Mechanochemical Synthesis of Metal Chalcogenides Suitable for Thermoelectrics
04:09

Demonstrating the Simplicity and In Situ Temperature Monitoring of the Mechanochemical Synthesis of Metal Chalcogenides Suitable for Thermoelectrics

Published on: August 30, 2024

756
Fully Autonomous Characterization and Data Collection from Crystals of Biological Macromolecules
07:11

Fully Autonomous Characterization and Data Collection from Crystals of Biological Macromolecules

Published on: March 22, 2019

7.3K
  • 由人工智能驱动的方法为加速材料发现提供了强大的工具包.
  • 这项研究验证了genAI作为材料科学的竞争力和有效方法.