相关实验视频

Updated: Jul 9, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

12.8K

自动化的MULtiscale模拟环境

Albert Sabadell-Rendón1, Kamila Kaźmierczak2, Santiago Morandi1,3

  • 1Institute of Chemical Research of Catalonia (ICIQ-CERCA), The Barcelona Institute of Science and Technology, (BIST) Av. Paisos Catalans 16 Tarragona 43007 Spain asabadell@iciq.es nlopez@iciq.es.

Digital discovery
|December 6, 2023
PubMed
概括

我们开发了自动化多尺度模拟环境 (AMUSE),以弥合原子模拟和反应堆规模预测的异质催化. AMUSE简化了复杂的建模,帮助从材料到反应堆级别的催化剂设计.

更多相关视频

Scalable Nanohelices for Predictive Studies and Enhanced 3D Visualization08:03

Scalable Nanohelices for Predictive Studies and Enhanced 3D Visualization

Published on: November 12, 2014

10.5K
Novel 3D/VR Interactive Environment for MD Simulations, Visualization and Analysis11:29

Novel 3D/VR Interactive Environment for MD Simulations, Visualization and Analysis

Published on: December 18, 2014

11.9K

相关概念视频

Modeling and Similitude01:12

Modeling and Similitude

Scaled modeling is a fundamental technique in engineering, enabling the study of large and complex systems by creating smaller, manageable replicas that recreate critical characteristics of the original. In hydrology and civil infrastructure, for example, scaled models of dams help analyze water flow, turbulence, and pressure. This method allows for accurate predictions of real-world behavior within a controlled environment, significantly reducing the cost and time involved in full-scale...
268