PARALLEL COMPUTATION OF MOLECULAR-ENERGY GRADIENTS ON THE LOOSELY COUPLED ARRAY OF PROCESSORS (LCAP)

被引:47
作者
DUPUIS, M
WATTS, JD
机构
来源
THEORETICA CHIMICA ACTA | 1987年 / 71卷 / 2-3期
关键词
D O I
10.1007/BF00526411
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
引用
收藏
页码:91 / 103
页数:13
相关论文
共 32 条
[1]  
BINKLEY JS, 1983, GAUSSIAN 82
[2]  
BOBROWICZ FW, 1977, METHODS ELECTRONIC S
[3]  
CHIN S, 1985, IBM KGN42 TECHN REP
[4]   PARALLELISM IN COMPUTATIONAL CHEMISTRY - APPLICATIONS IN QUANTUM AND STATISTICAL-MECHANICS [J].
CLEMENTI, E ;
CORONGIU, G ;
DETRICH, JH ;
KAHNMOHAMMADBAIGI, H ;
CHIN, S ;
DOMINGO, L ;
LAAKSONEN, A ;
NGUYEN, NL .
PHYSICA B & C, 1985, 131 (1-3) :74-102
[5]   ABINITIO COMPUTATIONAL CHEMISTRY [J].
CLEMENTI, E .
JOURNAL OF PHYSICAL CHEMISTRY, 1985, 89 (21) :4426-4436
[6]  
CLEMENTI E, 1984, STRUCTURE MOTION MEM
[7]  
CLEMENTI E, 1984, IBM KGN2 TECHN REP
[8]  
CLEMENTI E, 1986, IN PRESS ISRAELI J C
[9]  
CLEMENTI E, 1986, LECTURE SERIES IBM 9
[10]   LARGE-SCALE SCIENTIFIC APPLICATION PROGRAMS IN CHEMISTRY AND PHYSICS ON AN EXPERIMENTAL PARALLEL COMPUTER-SYSTEM [J].
CORONGIU, G ;
DETRICH, JH .
IBM JOURNAL OF RESEARCH AND DEVELOPMENT, 1985, 29 (04) :422-432