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Updated: May 27, 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

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在CMAQ化学运输模型中,GPU实现了气相化学溶解器

Duncan Quevedo1, Khanh Do2,3, George Delic4

  • 1Department of Civil and Environmental Engineering, University of California, Berkeley, California 94720, United States.

ACS ES&T air
|February 20, 2025
PubMed
概括

图形处理单元 (GPU) 加速显著加快空气质量建模. 该CMAQ-CUDA实现减少了气相化学模拟的计算时间,使大气建模更高效.

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Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

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