Transition path sampling

被引:530
作者
Dellago, C [1 ]
Bolhuis, PG
Geissler, PL
机构
[1] Univ Rochester, Dept Chem, Rochester, NY 14627 USA
[2] Univ Amsterdam, Dept Chem Engn, NL-1018 WV Amsterdam, Netherlands
[3] MIT, Dept Chem, Cambridge, MA 02139 USA
来源
ADVANCES IN CHEMICAL PHYSICS, VOL 123 | 2002年 / 123卷
关键词
D O I
10.1002/0471231509.ch1
中图分类号
O64 [物理化学(理论化学)、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号
070203 ; 070304 ; 081704 ; 1406 ;
摘要
引用
收藏
页码:1 / 78
页数:78
相关论文
共 81 条
[1]  
Allen M. P., 1987, Computer Simulation of Liquids
[2]   MOLECULAR-DYNAMICS SIMULATIONS AT CONSTANT PRESSURE AND-OR TEMPERATURE [J].
ANDERSEN, HC .
JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (04) :2384-2393
[4]   STATISTICAL-THEORIES OF CHEMICAL REACTIONS - DISTRIBUTIONS IN TRANSITION REGION [J].
ANDERSON, JB .
JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (10) :4684-4692
[5]  
[Anonymous], 1961, HYDRODYNAMICS HYDROM
[6]  
[Anonymous], CLASSICAL QUANTUM DY
[7]  
[Anonymous], PHYS CHEM COMM
[8]  
Bennett C. H., 1977, ACS Symp. Ser, P63, DOI DOI 10.1021/BK-1977-0046.CH004
[9]   MULTICANONICAL ENSEMBLE - A NEW APPROACH TO SIMULATE 1ST-ORDER PHASE-TRANSITIONS [J].
BERG, BA ;
NEUHAUS, T .
PHYSICAL REVIEW LETTERS, 1992, 68 (01) :9-12
[10]   Transition path sampling: throwing ropes over mountains in the dark [J].
Bolhuis, PG ;
Dellago, C ;
Geissler, PL ;
Chandler, D .
JOURNAL OF PHYSICS-CONDENSED MATTER, 2000, 12 (8A) :A147-A152