论文信息 - Multi-colour algorithms in molecular simulation: vectorisation and parallelisation of internal forces and constraints - 字舞流文

Multi-colour algorithms in molecular simulation: vectorisation and parallelisation of internal forces and constraints

Florian Müller-Plathe | David Brown | F. Müller-Plathe | David Brown

[1] G. Ciccotti,et al. Numerical Integration of the Cartesian Equations of Motion of a System with Constraints: Molecular Dynamics of n-Alkanes , 1977 .

[2] Giovanni Ciccotti,et al. Molecular dynamics simulation of rigid molecules , 1986 .

[3] Girija Ganti,et al. Transport Properties of Macromolecules by Brownian Dynamics Simulation: Vectorization of Brownian Dynamics on the Cyber‐205 , 1986 .

[4] J. Mccammon,et al. Dynamics of Proteins and Nucleic Acids , 2018 .

[5] J. Ortega. Introduction to Parallel and Vector Solution of Linear Systems , 1988, Frontiers of Computer Science.

[6] Bobby G. Sumpter,et al. Molecular dynamics simulations of polymers: Methods for optimal Fortran programming , 1989 .

[7] J. H. R. Clarke,et al. A loose-coupling, constant-pressure, molecular dynamics algorithm for use in the modelling of polymer materials , 1991 .