Million atom molecular dynamics simulations of materials on parallel computers

被引：11

作者：

Vashishta, P ^{[1
]}

Kalia, RK ^{[1
]}

Li, W ^{[1
]}

Nakano, A ^{[1
]}

Omeltchenko, A ^{[1
]}

Tsuruta, K ^{[1
]}

Wang, JH ^{[1
]}

Ebbsjo, I ^{[1
]}

机构：

[1] UPPSALA UNIV,STUDSV NEUTRON RES LAB,S-61182 NYKOPING,SWEDEN

来源：

CURRENT OPINION IN SOLID STATE & MATERIALS SCIENCE | 1996年 / 1卷 / 06期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1016/S1359-0286(96)80113-6

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Recent advances in computing technology - parallel computer architectures, portable software and development of robust O(N) algorithms - have revolutionized the field of computer simulation. Using the space-time multiresolution molecular dynamics algorithms it is possible to carry out multimillion atom simulations of materials in different ranges of density, temperature and uniaxial strain.

引用

页码：853 / 863

页数：11

共 50 条

[21] Dynamics of oxidation of aluminum nanoclusters using variable charge molecular-dynamics simulations on parallel computers
Campbell, T
Kalia, RK
Nakano, A
Vashishta, P
Ogata, S
Rodgers, S
PHYSICAL REVIEW LETTERS, 1999, 82 (24) : 4866 - 4869
[22] Hybrid finite-element/molecular-dynamics/electronic-density-functional approach to materials simulations on parallel computers
Ogata, S
Lidorikis, E
Shimojo, F
Nakano, A
Vashishta, P
Kalia, RK
COMPUTER PHYSICS COMMUNICATIONS, 2001, 138 (02) : 143 - 154
[23] Multiresolution algorithms for massively parallel molecular dynamics simulations of nanostructured materials
Kalia, RK
Campbell, TJ
Chatterjee, A
Nakano, A
Vashishta, P
Ogata, S
COMPUTER PHYSICS COMMUNICATIONS, 2000, 128 (1-2) : 245 - 259
[24] Accelerating molecular dynamics simulations with reconfigurable computers
Scrofano, Ronald
Gokhale, Maya B.
Trouw, Frans
Prasanna, Viktor K.
IEEE TRANSACTIONS ON PARALLEL AND DISTRIBUTED SYSTEMS, 2008, 19 (06) : 764 - 778
[25] Molecular Dynamics with the massively parallel APE computers
LaPenna, G
Minicozzi, V
Morante, S
Rossi, GC
Salina, G
COMPUTER PHYSICS COMMUNICATIONS, 1997, 106 (1-2) : 53 - 68
[26] MOLECULAR-DYNAMICS ON HYPERCUBE PARALLEL COMPUTERS
SMITH, W
COMPUTER PHYSICS COMMUNICATIONS, 1991, 62 (2-3) : 229 - 248
[27] Silica under very large positive and negative pressures: Molecular dynamics simulations on parallel computers
Vashishta, P
Kalia, RK
Nakano, A
Jin, W
INTERNATIONAL JOURNAL OF THERMOPHYSICS, 1996, 17 (01) : 169 - 178
[28] Asynchronous parallel molecular dynamics simulations
Mederski, Jaroslaw
Mikulski, Lukasz
Bala, Piotr
PARALLEL PROCESSING AND APPLIED MATHEMATICS, 2008, 4967 : 439 - 446
[29] Atomistic aspects of crack propagation in brittle materials: Multimillion atom molecular dynamics simulations
Rountree, CL
Kalia, RK
Lidorikis, E
Nakano, A
Van Brutzel, L
Vashishta, P
ANNUAL REVIEW OF MATERIALS RESEARCH, 2002, 32 : 377 - 400
[30] REACTIVE WAVEPACKET DYNAMICS FOR 4 ATOM SYSTEMS ON SCALABLE PARALLEL COMPUTERS
GOLDFIELD, EM
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1994, 208 : 193 - COMP

← 1 2 3 4 5 →