SCOPUS 정보 검색 플랫폼

SIAM Journal on Scientific Computing

Volumn 23, Issue 2, 2002, Pages 563-582

Large-scale normal coordinate analysis for molecular structures

(5) Yang, Chao a Peyton, Barry W a Noid, Donald W a Sumpter, Bobby G a Tuzun, Robert E a

a LAWRENCE BERKELEY NATIONAL LABORATORY (United States)

Author keywords

Eigenvalue computation; Normal coordinate analysis; Preconditioner

Indexed keywords

ALGORITHMS; COMPUTER AIDED SOFTWARE ENGINEERING; CONVERGENCE OF NUMERICAL METHODS; EIGENVALUES AND EIGENFUNCTIONS; ITERATIVE METHODS; MOLECULAR STRUCTURE; PROBLEM SOLVING;

NORMAL COORDINATE ANALYSIS;

COMPUTATIONAL METHODS;

EID: 0036226015 PISSN: 10648275 EISSN: None Source Type: Journal
DOI: 10.1137/S1064827500373668 Document Type: Conference Paper

Times cited : (10)

References (28)

1
- 0000238609
- Homogeneous polymer blend microparticles with a tunable refractive index
- (1999) Opt. Lett. , vol.24 , pp. 121-123
- Barnes, M.D.¹ Kung, C.Y.² Lermer, N.³ Fukui, K.⁴ Sumpter, B.G.⁵ Noid, D.W.⁶ Otaigbe, J.U.⁷

2
- 85160598370
- private communication, Lawrence Livermore National Laboratory, Livermore, CA
- (2000)
- Chow, E.¹

3
- 0033285109
- Developments and trends in parallel solutions of linear systems
- (1999) Parallel Comput. , vol.25 , pp. 1931-1970
- Duff, I.S.¹ Van Der Vorst, H.A.²

4
- 0032131701
- Jacobi-Davidson style QR and QZ algorithms for the reduction of matrix pencils
- (1998) SIAM J. Sci. Comput. , vol.20 , pp. 94-125
- Fokkema, D.R.¹ Sleijpen, G.L.G.² Van Der Vorst, H.A.³

5
- 0000394782
- The QR transformation a unitary analogue to the LR transformation - Part 1
- (1961) Comput. J. , vol.4 , pp. 265-271
- Francis, J.G.F.¹

6
- 0000394779
- The QR transformation - Part 2
- (1962) Comput. J. , vol.4 , pp. 332-345
- Francis, J.G.F.¹

7
- 0033689002
- Spectra analysis of macromolecular systems: Chain length effects in polymer particles
- (2000) J. Polymer Sci.: Part B , vol.38 , pp. 1812-1823
- Fukui, K.¹ Sumpter, B.G.² Noid, D.³ Yang, C.⁴ Tuzun, R.E.⁵

8
- 0003946088
- Noyes, NJ
- (1997) Ultra-Fine Particles Technology
- Hayashi, C.¹ Uyeda, R.² Tasaki, A.³

9
- 0026219647
- Parallel algorithms for sparse linear systems
- (1991) SIAM Rev. , vol.33 , pp. 420-460
- Heath, M.T.¹ Ng, E.² Peyton, B.W.³

10
- 0003734628
- Technical report, Department of Computer Science, University of Minnesota, Minneapolis, MN
- (1998) METIS: A Software Package for Partitioning Unstructured Graphs, Partitioning Meshes, and Computing Fill-Reducing Orderings of Sparse Matrices
- Karypis, G.¹ Kumar, V.²

11
- 0000030339
- Confinement and manipulation of individual molecules in attoliter volumes
- (1998) Anal. Chem. , vol.70 , pp. 658-661
- Kung, C.Y.¹ Barnes, M.D.² Lermer, N.³ Whitten, W.B.⁴ Ramsey, J.M.⁵

12
- 0000094594
- An iteration method for the solution of the eigenvalue problem of linear differential and integral operators
- (1950) J. Res. Nat. Bur. Standards , vol.45 , pp. 255-282
- Lanzcos, C.¹

13
- 0003851780
- SIAM, Philadelphia, PA
- (1998) ARPACK Users' Guide: Solution of Large-Scale Eigenvalue Problems with Implicitly Restarted Arnoldi Methods
- Lehoucq, R.B.¹ Sorensen, D.C.² Yang, C.³

14
- 84966241510
- An incomplete factorization technique for positive definite linear systems
- (1980) Math. Comp. , vol.34 , pp. 473-497
- Manteuffel, T.A.¹

15
- 84966225158
- An iterative solution method for linear systems of which the coefficient matrix is a symmetric m-matrix
- (1977) Math. Comp. , vol.31 , pp. 148-162
- Meijerink, J.A.¹ Van Der Vorst, H.A.²

16
- 0000251181
- Time-averaged normal coordinate analysis of polymer particles and crystals
- (2000) Chem. Phys. Lett , vol.316 , pp. 285-296
- Noid, D.W.¹ Fukui, K.² Sumpter, B.G.³ Yang, C.⁴ Tuzun, R.E.⁵

17
- 0003930328
- John Wiley, New York
- (1982) The Theory of Vibrational Spectroscopy and Its Application to Polymer Materials
- Painter, P.C.¹ Coleman, M.M.² Koeing, J.L.³

18
- 0003668665
- Prentice-Hall, Englewood Cliffs, NJ
- (1980) The Symmetric Eigenvalue Problem
- Parlett, B.N.¹

19
- 85160657028
- private communication, California Institute of Technology, Pasadena, CA
- (2000)
- Renger, T.¹

20
- 0030560293
- A Jacobi-Davidson iteration method for linear eigenvalue problems
- (1996) SIAM J. Matrix Anal. Appl. , vol.17 , pp. 401-425
- Sleijpen, G.L.G.¹ Van Der Vorst, H.A.²

21
- 0000322706
- Implicit application of polynomial Jilters in a k-step Arnoldi method
- (1992) SIAM J. Matrix Anal. Appl. , vol.13 , pp. 357-385
- Sorensen, D.C.¹

22
- 0008814828
- Technical report TR 97-29, Department of Computational and Applied Mathematics, Rice University, Houston, TX
- (1997) Accelerating the Lanczos Algorithm via Polynomial Spectral Transformations
- Sorensen, D.C.¹ Yang, C.²

23
- 0032348061
- A truncated RQ iteration for large scale eigenvalue calculations
- (1998) SIAM J. Matrix Anal. Appl. , vol.19 , pp. 1045-1073
- Sorensen, D.C.¹ Yang, C.²

24
- 0030549642
- Efficient computation of potential energy first and second derivatives for molecular dynamics, normal coordinate analysis, and molecular mechanics calculations
- (1996) Macromol. Theory Simul. , vol.5 , pp. 771-787
- Tuzun, R.E.¹ Noid, D.W.² Sumpter, B.G.³

25
- 0000945183
- Efficient treatment of out-of-plane bend and improper torsion interactions in MM2, MM3, and MM4 molecular mechanics calculations
- (1997) J. Comput. Chem. , vol.18 , pp. 1804-1811
- Tuzun, R.E.¹ Noid, D.W.² Sumpter, B.G.³

26
- 0004003691
- Dover, New York
- (1955) Molecular Vibrations
- Wilson, E.B.¹ Decius, J.C.² Cross, P.C.³

27
- 0002588140
- Convergence analysis of an inexact truncated RQ-iteration. Large scale eigenvalue problems
- (1998) Electron. Trans. Numer. Anal. , vol.7 , pp. 40-55
- Yang, C.¹

28
- 85160639479
- manuscript
- Large-Scale Normal Coordinate Analysts on Distributed Memory Parallel Systems
- Yang, C.¹ Raghavan, P.² Arrowood, L.³ Noid, D.W.⁴ Sumpter, B.G.⁵ Tuzun, R.E.⁶

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.