Parallel Processing for Ab Initio Quantum Mechanical Methods
暂无分享,去创建一个
[1] David J. Kuck. ILLIAC IV Software and Application Programming , 1968, IEEE Transactions on Computers.
[2] Michael E. Colvin,et al. Parallel direct SCF for large-scale calculations , 1993 .
[3] Edward T. Seidl,et al. Parallel direct implementations of second‐order perturbation theories , 1995, J. Comput. Chem..
[4] Thomas R. Furlani,et al. Implementation of a parallel direct SCF algorithm on distributed memory computers , 1995, J. Comput. Chem..
[5] Henry F. Schaefer,et al. Parallel algorithms for quantum chemistry. I. Integral transformations on a hypercube multiprocessor , 1987 .
[6] Giorgina Corongiu,et al. Parallelism in quantum chemistry: Hydrogen bond study in DNA base pairs as an example , 1984 .
[7] Robert J. Harrison,et al. Computational chemistry on the FPS-X64 scientific computers , 1987 .
[8] R. Harrison,et al. AB Initio Molecular Electronic Structure on Parallel Computers , 1994 .
[9] Michel Dupuis,et al. Parallel computation of the Moller–Plesset second‐order contribution to the electronic correlation energy , 1988 .
[10] Robert J. Harrison,et al. A massively parallel multireference configuration interaction program: The parallel COLUMBUS program , 1997 .
[11] Alistair P. Rendell,et al. A direct coupled cluster algorithm for massively parallel computers , 1997 .
[12] Armin Burkhardt,et al. Computational chemistry with transputers: a direct SCF program , 1989 .
[13] Robert J. Harrison,et al. Parallel direct four-index transformations , 1996 .
[14] Michael J. Flynn,et al. Some Computer Organizations and Their Effectiveness , 1972, IEEE Transactions on Computers.
[15] Michel Dupuis,et al. Parallel computation of the MP2 energy on distributed memory computers , 1995, J. Comput. Chem..
[16] Geoffrey C. Fox,et al. Matrix algorithms on a hypercube I: Matrix multiplication , 1987, Parallel Comput..
[17] Robert J. Harrison,et al. Toward high‐performance computational chemistry: I. Scalable Fock matrix construction algorithms , 1996 .
[18] Michel Dupuis,et al. Parallel computation of molecular energy gradients on the loosely coupled array of processors (LCAP) , 1987 .
[19] Ida M. B. Nielsen,et al. A new direct MP2 gradient algorithm with implementation on a massively parallel computer , 1996 .
[20] David B. Loveman. High performance Fortran , 1993, IEEE Parallel & Distributed Technology: Systems & Applications.
[21] Emily A. Carter,et al. Pseudospectral correlation methods on distributed memory parallel architectures , 1995 .
[22] Michel Dupuis,et al. Parallel computation of second derivatives of RHF energy on distributed memory computers , 1997 .
[23] Roberto Ansaloni,et al. A full CI algorithm on the CRAY T3D. Application to the NH3 molecule , 1995 .
[24] Rick Stevens,et al. Toward high‐performance computational chemistry: II. A scalable self‐consistent field program , 1996 .
[25] Kristyn J. Maschhoff,et al. Investigating the performance of parallel eigensolvers for large processor counts , 1993 .
[26] James Demmel,et al. Practical Experience in the Dangers of Heterogeneous Computing , 1996, PARA.
[27] Peter Hibbard,et al. Computational chemistry and computer science , 1982 .