当前位置: X-MOL 学术Comput. Phys. Commun. › 论文详情
(py)LIon: A package for simulating trapped ion trajectories
Computer Physics Communications ( IF 3.309 ) Pub Date : 2020-01-27 , DOI: 10.1016/j.cpc.2020.107187
E. Bentine; C.J. Foot; D. Trypogeorgos

The (py)LIon package is a set of tools to simulate the classical trajectories of ensembles of ions in electrodynamic traps. Molecular dynamics simulations are performed using LAMMPS, an efficient and feature-rich program. (py)LIon has been validated by comparison with the analytic theory describing ion trap dynamics. Notable features include GPU-accelerated force calculations, and treating collections of ions as rigid bodies to enable investigations of the rotational dynamics of large, mesoscopic charged particles. Programme summary Program Title: (py)LIon Program Files doi: http://dx.doi.org/10.17632/ywwd9nnxjh.1 Licencing provisions: MIT Programming language: Matlab, Python Subprograms used: LAMMPS Nature of problem: Simulating the dynamics of ions and mesoscopic charged particles confined in an electrodynamic trap using molecular dynamics methods Solution method: Provide a tested, feature-rich API to configure molecular dynamics calculations in LAMMPS Unusual features: (py)LIon can treat collections of ions as rigid bodies to simulate larger objects confined in electrodynamic traps. GPU acceleration is provided through the LAMMPS package.
更新日期:2020-01-27

 

全部期刊列表>>
智控未来
聚焦商业经济政治法律
跟Nature、Science文章学绘图
控制与机器人
招募海内外科研人才,上自然官网
中洪博元
隐藏1h前已浏览文章
课题组网站
新版X-MOL期刊搜索和高级搜索功能介绍
ACS材料视界
x-mol收录
南开大学
朱守非
廖良生
南方科技大学
西湖大学
伊利诺伊大学香槟分校
徐明华
中山大学化学工程与技术学院
试剂库存
天合科研
down
wechat
bug