Accurate Simulation of Copper Diffusion in Silicon via Deep Potential Molecular Dynamics

Datasets for paper 《 Accurate Simulation of Copper Diffusion in Silicon via Deep Potential Molecular Dynamics 》

DataCite Commons2024-11-12 更新40

Accurate Simulation of Copper Diffusion in Silicon via Deep Potential Molecular Dynamics

Datasets for paper 《 Accurate Simulation of Copper Diffusion in Silicon via Deep Potential Molecular Dynamics 》

DataCite Commons2024-11-12 更新40

Computing the Rotational Diffusion of Biomolecules via Molecular Dynamics Simulation and Quaternion Orientations

Rotational diffusion (Drot) is a fundamental property of biomolecules that contains information about molecular dimensions and solute–solvent interactions. While ab initio Drot prediction can be achie

Figshare2017-02-15 更新00