SCOPUS 정보 검색 플랫폼

Volumn 584, Issue , 2013, Pages 10-13

Parallel low-memory quasi-Newton optimization algorithm for molecular structure

Author keywords

[No Author keywords available]

Indexed keywords

CONNECTIVITY MATRIX; GRADIENT CALCULATIONS; GRADIENT OPTIMIZATION; LBFGS ALGORITHMS; LOW MEMORY; MOLECULAR GEOMETRIES; QUASI-NEWTON OPTIMIZATION;

GRAPH THEORY; MOLECULAR STRUCTURE;

ALGORITHMS;

EID: 84884819359 PISSN: 00092614 EISSN: None Source Type: Journal
DOI: 10.1016/j.cplett.2013.08.050 Document Type: Article

Times cited : (7)

References (16)

1
- 0003768769
- second ed. Wiley-Interscience New York, NY, USA pp. 49-57
- R. Fletcher In Practical Methods of Optimization second ed. 1987 Wiley-Interscience New York, NY, USA pp. 49-57
- (1987) In Practical Methods of Optimization
- Fletcher, R.¹

2
- 34250095461
- R. Byrd, and R.B. Schnabel Math. Program 42 1988 273
- (1988) Math. Program , vol.42 , pp. 273
- Byrd, R.¹ Schnabel, R.B.²

3
- 77956240093
- S.K. Burger, and P.W.J. Ayers Chem. Phys. 133 2010 34116
- (2010) Chem. Phys. , vol.133 , pp. 34116
- Burger, S.K.¹ Ayers, P.W.J.²

4
- 34249966948
- S. Nash, and A. Sofer Math. Program 45 1989 529
- (1989) Math. Program , vol.45 , pp. 529
- Nash, S.¹ Sofer, A.²

5
- 0000435162
- J. Nocedal Math. Comput. 35 1980 773
- (1980) Math. Comput. , vol.35 , pp. 773
- Nocedal, J.¹

6
- 33646887390
- D.C. Liu, J. Nocedal, D.C. Liu, and J. Nocedal Math. Program 45 1989 503
- (1989) Math. Program , vol.45 , pp. 503
- Liu, D.C.¹ Nocedal, J.² Liu, D.C.³ Nocedal, J.⁴

7
- 70349100665
- University of Colorado Boulder, Colorado
- L. Jiang, R.H. Byrd, E. Eskow, and R.B. Schnabel A Preconditioned L-BFGS Algorithm with Application to Molecular Energy Minimization, Technical Report CU-CS-982-04 2004 University of Colorado Boulder, Colorado
- (2004) A Preconditioned L-BFGS Algorithm with Application to Molecular Energy Minimization, Technical Report CU-CS-982-04
- Jiang, L.¹ Byrd, R.H.² Eskow, E.³ Schnabel, R.B.⁴

8
- 0033954256
- H.M. Berman, J. Westbrook, Z. Feng, G. Gilliland, T.N. Bhat, H. Weissig, I.N. Shindyalov, and P.E. Bourne Nucleic Acids Res. 28 2000 235
- (2000) Nucleic Acids Res. , vol.28 , pp. 235
- Berman, H.M.¹ Westbrook, J.² Feng, Z.³ Gilliland, G.⁴ Bhat, T.N.⁵ Weissig, H.⁶ Shindyalov, I.N.⁷ Bourne, P.E.⁸

9
- 84884815962
- RCSB Protein Data Bank - RCSB PDB (accessed 10.06.2013)
- RCSB Protein Data Bank - RCSB PDB. < http://www.pdb.org > (accessed 10.06.2013).

10
- 84867637262
- H.J. Kulik, N. Luehr, I.S. Ufimtsev, and T.J.J. Martinez Phys. Chem. B 116 2012 12501
- (2012) Phys. Chem. B , vol.116 , pp. 12501
- Kulik, H.J.¹ Luehr, N.² Ufimtsev, I.S.³ Martinez, T.J.J.⁴

11
- 84884815860
- Cuby framework (accessed 09.08.2013)
- Cuby framework. < http://cuby.molecular.cz > (accessed 09.08.2013).

12
- 0242663237
- Y. Duan, C. Wu, S. Chowdhury, M.C. Lee, G. Xiong, W. Zhang, R. Yang, P. Cieplak, R. Luo, T. Lee, J. Caldwell, J. Wang, and P.J. Kollman Comput. Chem. 24 2003 1999
- (2003) Comput. Chem. , vol.24 , pp. 1999
- Duan, Y.¹ Wu, C.² Chowdhury, S.³ Lee, M.C.⁴ Xiong, G.⁵ Zhang, W.⁶ Yang, R.⁷ Cieplak, P.⁸ Luo, R.⁹ Lee, T.¹⁰ Caldwell, J.¹¹ Wang, J.¹² Kollman, P.J.¹³

13
- 23444454552
- D.A. Case, T.E. Cheatham, T. Darden, H. Gohlke, R. Luo, K.M. Merz, A. Onufriev, C. Simmerling, B. Wang, and R.J.J. Woods Comput. Chem. 26 2005 1668
- (2005) Comput. Chem. , vol.26 , pp. 1668
- Case, D.A.¹ Cheatham, T.E.² Darden, T.³ Gohlke, H.⁴ Luo, R.⁵ Merz, K.M.⁶ Onufriev, A.⁷ Simmerling, C.⁸ Wang, B.⁹ Woods, R.J.J.¹⁰

14
- 14244273182
- V. Tsui, and D.A. Case Biopolymers 56 2000 275
- (2000) Biopolymers , vol.56 , pp. 275
- Tsui, V.¹ Case, D.A.²

15
- 2942655475
- T.A. Davis ACM Trans. Math. Software 30 2004 165
- (2004) ACM Trans. Math. Software , vol.30 , pp. 165
- Davis, T.A.¹

16
- 2942653250
- T.A. Davis ACM Trans. Math. Software 30 2004 196
- (2004) ACM Trans. Math. Software , vol.30 , pp. 196
- Davis, T.A.¹

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.