论文部分内容阅读
Reliable Computational Design of Biological-Inorganic Materials to the Large Nanometer Scale Using I
【机 构】
:
DepartmentofChemicalandBiologicalEngineering,UniversityofColorado-Boulder,Boulder,CO80309,USA
【出 处】
:
第四届国际分子模拟大会(The International Conference on Molecular Simula
【发表日期】
:
2016年10期
其他文献
Reactive Molecular Dynamics Study of Dissolution Processes in Alkaline and Acid Treatment of Zeolite
With the aim to optimize alkaline and acid treatment of zeolites to obtain hierarchical mesoporous zeolites,dissolution and absorption mechanisms relevant t
会议
会议
Development of variational path integral molecular dynamics method with applications to quantum clus
会议
Multi-reference approach is almost unavoidable for studying chemical reactions related bond breaking,photo-chemistry and photo-physics processes.At present,
会议
会议
Using the Projection Operator Approach to Identify Optimal Kinetic Lumping and Recover Slowest Confo
Markov State Model(MSM)becomes a popular approach in investigating conformational dynamics of complex systems.But in many cases,one often needs a large numb
会议