-
1
-
-
0041905968
-
New approaches in molecular structure prediction
-
Gerald Böhm New approaches in molecular structure prediction Biophys. Chem. 59 1-2 1996 1 32
-
(1996)
Biophys. Chem.
, vol.59
, Issue.1-2
, pp. 1-32
-
-
Böhm, G.1
-
2
-
-
37649014404
-
On searching in, sampling of, and dynamically moving through conformational space of biomolecular systems: A review
-
Markus Christen, and Wilfred F. van Gunsteren On searching in, sampling of, and dynamically moving through conformational space of biomolecular systems: a review J. Comput. Chem. 29 2 2008 157 166
-
(2008)
J. Comput. Chem.
, vol.29
, Issue.2
, pp. 157-166
-
-
Christen, M.1
Van Gunsteren, W.F.2
-
3
-
-
0023430366
-
Monte Carlo-minimization approach to the multiple-minima problem in protein folding
-
Z. Li Monte Carlo-minimization approach to the multiple-minima problem in protein folding Proc. Natl. Acad. Sci. USA 84 19 1987 6611 6615
-
(1987)
Proc. Natl. Acad. Sci. USA
, vol.84
, Issue.19
, pp. 6611-6615
-
-
Li, Z.1
-
4
-
-
11744387198
-
Stochastic exploration of molecular mechanics energy surfaces. Hunting for the global minimum
-
Martin Saunders Stochastic exploration of molecular mechanics energy surfaces. Hunting for the global minimum J. Am. Chem. Soc. 109 10 1987 3150 3152
-
(1987)
J. Am. Chem. Soc.
, vol.109
, Issue.10
, pp. 3150-3152
-
-
Saunders, M.1
-
5
-
-
0023993998
-
The role of computer simulation techniques in protein engineering
-
Wilfred F. van Gunsteren The role of computer simulation techniques in protein engineering Protein Eng. Des. Sel. 2 1 1988 5 13
-
(1988)
Protein Eng. Des. Sel.
, vol.2
, Issue.1
, pp. 5-13
-
-
Van Gunsteren, W.F.1
-
6
-
-
33746271105
-
Biomolecular modeling: Goals, problems, perspectives
-
Wilfred F. van Gunsteren, Dirk Bakowies, Riccardo Baron, Indira Chandrasekhar, Markus Christen, Xavier Daura, Peter Gee, Daan P. Geerke, Alice Glättli, Philippe H. Hünenberger, Mika A. Kastenholz, Chris Oostenbrink, Merijn Schenk, Daniel Trzesniak, Nico F.A. van der Vegt, and Haibo B. Yu Biomolecular modeling: goals, problems, perspectives Angew. Chem. Int. Ed. Engl. 45 25 2006 4064 4092
-
(2006)
Angew. Chem. Int. Ed. Engl.
, vol.45
, Issue.25
, pp. 4064-4092
-
-
Van Gunsteren, W.F.1
Bakowies, D.2
Baron, R.3
Chandrasekhar, I.4
Christen, M.5
Daura, X.6
Gee, P.7
Geerke, D.P.8
Glättli, A.9
Hünenberger, P.H.10
Kastenholz, M.A.11
Oostenbrink, C.12
Schenk, M.13
Trzesniak, D.14
Van Der Vegt, N.F.A.15
Yu, H.B.16
-
7
-
-
0033610078
-
Global optimization of clusters, crystals, and biomolecules
-
David J. Wales, and H.A. Scheraga Global optimization of clusters, crystals, and biomolecules Science 285 5432 1999 1368 1372
-
(1999)
Science
, vol.285
, Issue.5432
, pp. 1368-1372
-
-
Wales, D.J.1
Scheraga, H.A.2
-
8
-
-
80052089328
-
Energy landscape of silicon tetra-interstitials using an optimized classical potential
-
Yaojun A. Du, Thomas J. Lenosky, Richard G. Hennig, Stefan Goedecker, and John W. Wilkins Energy landscape of silicon tetra-interstitials using an optimized classical potential Phys. Status Solidi B-Basic Solid State Phys. 2011 2050 2055
-
(2011)
Phys. Status Solidi B-Basic Solid State Phys.
, pp. 2050-2055
-
-
Du, Y.A.1
Lenosky, T.J.2
Hennig, R.G.3
Goedecker, S.4
Wilkins, J.W.5
-
9
-
-
60449102523
-
Structure of large gold clusters obtained by global optimization using the minima hopping method
-
Kuo Bao, Stefan Goedecker, Kenji Koga, Frédéric Lançon, and Alexey Neelov Structure of large gold clusters obtained by global optimization using the minima hopping method Phys. Rev. B 79 4 2009 041405
-
(2009)
Phys. Rev. B
, vol.79
, Issue.4
, pp. 041405
-
-
Bao, K.1
Goedecker, S.2
Koga, K.3
Lançon, F.4
Neelov, A.5
-
10
-
-
0000672766
-
The double-funnel energy landscape of the 38-atom Lennard-Jones cluster
-
Jonathan P.K. Doye, Mark A. Miller, and David J. Wales The double-funnel energy landscape of the 38-atom Lennard-Jones cluster J. Chem. Phys. 110 14 1999 6896 6906
-
(1999)
J. Chem. Phys.
, vol.110
, Issue.14
, pp. 6896-6906
-
-
Doye, J.P.K.1
Miller, M.A.2
Wales, D.J.3
-
11
-
-
36449008021
-
The effect of the range of the potential on the structures of clusters
-
Jonathan P.K. Doye, David J. Wales, and R. Stephen Berry The effect of the range of the potential on the structures of clusters J. Chem. Phys. 103 10 1995 4234 4249
-
(1995)
J. Chem. Phys.
, vol.103
, Issue.10
, pp. 4234-4249
-
-
Doye, J.P.K.1
Wales, D.J.2
Stephen Berry, R.3
-
12
-
-
0005259135
-
Thermodynamics and the global optimization of Lennard-Jones clusters
-
Jonathan P.K. Doye, David J. Wales, and Mark A. Miller Thermodynamics and the global optimization of Lennard-Jones clusters J. Chem. Phys. 109 19 1998 8143
-
(1998)
J. Chem. Phys.
, vol.109
, Issue.19
, pp. 8143
-
-
Doye, J.P.K.1
Wales, D.J.2
Miller, M.A.3
-
13
-
-
27644485121
-
2O) n, n ≤ 21, described by a five-site empirical potential
-
2O) n, n ≤ 21, described by a five-site empirical potential Chem. Phys. Lett. 415 4-6 2005 302 307
-
(2005)
Chem. Phys. Lett.
, vol.415
, Issue.4-6
, pp. 302-307
-
-
James, T.1
Wales, D.J.2
Hernández-Rojas, J.3
-
14
-
-
0000044660
-
Tetrahedral global minimum for the 98-atom Lennard-Jones cluster
-
Robert H. Leary, and Jonathan P.K. Doye Tetrahedral global minimum for the 98-atom Lennard-Jones cluster Phys. Rev. E 60 6 1999 R6320 R6322
-
(1999)
Phys. Rev. E
, vol.60
, Issue.6
-
-
Leary, R.H.1
Doye, J.P.K.2
-
15
-
-
0037124016
-
Geometry optimisation of aluminium clusters using a genetic algorithm
-
Lesley D. Lloyd, Roy L. Johnston, Christopher Roberts, and Thomas V. Mortimer-Jones Geometry optimisation of aluminium clusters using a genetic algorithm Chem. Phys. Chem. 3 5 2002 408 415
-
(2002)
Chem. Phys. Chem.
, vol.3
, Issue.5
, pp. 408-415
-
-
Lloyd, L.D.1
Johnston, R.L.2
Roberts, C.3
Mortimer-Jones, T.V.4
-
16
-
-
34249058698
-
Crystal structure prediction and simulations of structural transformations: Metadynamics and evolutionary algorithms
-
R. Martoňák, Artem R. Oganov, and C.W. Glass Crystal structure prediction and simulations of structural transformations: metadynamics and evolutionary algorithms Phase Transitions 80 4-5 2007 277 298
-
(2007)
Phase Transitions
, vol.80
, Issue.4-5
, pp. 277-298
-
-
Martoňák, R.1
Oganov, A.R.2
Glass, C.W.3
-
17
-
-
0034386271
-
A genetic algorithm for the structural optimization of Morse clusters
-
Chris Roberts, Roy L. Johnston, and Nicholas T. Wilson A genetic algorithm for the structural optimization of Morse clusters Theor. Chem. Acc. 104 2 2000 123 130
-
(2000)
Theor. Chem. Acc.
, vol.104
, Issue.2
, pp. 123-130
-
-
Roberts, C.1
Johnston, R.L.2
Wilson, N.T.3
-
18
-
-
39649086258
-
Theoretical studies of structural, energetic, and electronic properties of clusters
-
Michael Springborg, Yi Dong, Valeri G. Grigoryan, Violina Tevekeliyska, Denitsa Alamanova, Elisaveta Kasabova, Sudip Roy, Jan-Ole Joswig, and Abu Md. Asaduzzaman Theoretical studies of structural, energetic, and electronic properties of clusters Z. Phys. Chem. 222 2-3 2008 387 405
-
(2008)
Z. Phys. Chem.
, vol.222
, Issue.2-3
, pp. 387-405
-
-
Springborg, M.1
Dong, Y.2
Grigoryan, V.G.3
Tevekeliyska, V.4
Alamanova, D.5
Kasabova, E.6
Roy, S.7
Joswig, J.-O.8
Asaduzzaman, A.Md.9
-
19
-
-
35148821762
-
A powerful and efficient algorithm for numerical function optimization: Artificial bee colony (ABC) algorithm
-
Dervis Karaboga, and Bahriye Basturk A powerful and efficient algorithm for numerical function optimization: artificial bee colony (ABC) algorithm J. Global Optim. 39 3 2007 459 471
-
(2007)
J. Global Optim.
, vol.39
, Issue.3
, pp. 459-471
-
-
Karaboga, D.1
Basturk, B.2
-
20
-
-
67349273050
-
A comparative study of Artificial Bee Colony algorithm
-
Dervis Karaboga, and Bahriye Akay A comparative study of Artificial Bee Colony algorithm Appl. Math. Comput. 214 1 2009 108 132
-
(2009)
Appl. Math. Comput.
, vol.214
, Issue.1
, pp. 108-132
-
-
Karaboga, D.1
Akay, B.2
-
21
-
-
70649102125
-
Parameter optimization of a multi-pass milling process using non-traditional optimization algorithms
-
R. Venkata Rao, and P.J. Pawar Parameter optimization of a multi-pass milling process using non-traditional optimization algorithms Appl. Soft Comput. 10 2 2010 445 456
-
(2010)
Appl. Soft Comput.
, vol.10
, Issue.2
, pp. 445-456
-
-
Venkata Rao, R.1
Pawar, P.J.2
-
22
-
-
78049297395
-
Gbest-guided artificial bee colony algorithm for numerical function optimization
-
Guopu Zhu, and Sam Kwong Gbest-guided artificial bee colony algorithm for numerical function optimization Appl. Math. Comput. 217 7 2010 3166 3173
-
(2010)
Appl. Math. Comput.
, vol.217
, Issue.7
, pp. 3166-3173
-
-
Zhu, G.1
Kwong, S.2
-
23
-
-
0000560869
-
Global optimization by Basin-Hopping and the lowest energy structures of Lennard-Jones clusters containing up to 110 atoms
-
David J. Wales, and Jonathan P.K. Doye Global optimization by Basin-Hopping and the lowest energy structures of Lennard-Jones clusters containing up to 110 atoms J. Phys. Chem. A 101 28 1997 5111 5116
-
(1997)
J. Phys. Chem. A
, vol.101
, Issue.28
, pp. 5111-5116
-
-
Wales, D.J.1
Doye, J.P.K.2
-
24
-
-
84874075287
-
Symmetrisation schemes for global optimisation of atomic clusters
-
Mark T. Oakley, Roy L. Johnston, and David J. Wales Symmetrisation schemes for global optimisation of atomic clusters Phys. Chem. Chem. Phys. 15 2013 3965 3976
-
(2013)
Phys. Chem. Chem. Phys.
, vol.15
, pp. 3965-3976
-
-
Oakley, M.T.1
Johnston, R.L.2
Wales, D.J.3
-
25
-
-
79958236848
-
Prediction of the lowest energy configuration for Lennard-Jones clusters
-
Xiang Jing Lai, Ru Chu Xu, and Wen Qi Huang Prediction of the lowest energy configuration for Lennard-Jones clusters Sci. China-Chem. 54 6 2011 985 991
-
(2011)
Sci. China-Chem.
, vol.54
, Issue.6
, pp. 985-991
-
-
Lai, X.J.1
Xu, R.C.2
Huang, W.Q.3
-
26
-
-
0029285723
-
A genetic algorithm for the automated generation of molecules within constraints
-
R.C. Glen, and A.W.R. Payne A genetic algorithm for the automated generation of molecules within constraints J. Comput.-Aided Mol. Des. 9 2 1995 181 202
-
(1995)
J. Comput.-Aided Mol. Des.
, vol.9
, Issue.2
, pp. 181-202
-
-
Glen, R.C.1
Payne, A.W.R.2
-
27
-
-
65449142416
-
Robustness of 'cut and splice' genetic algorithms in the structural optimization of atomic clusters
-
Vladimir A. Froltsov, and Karsten Reuter Robustness of 'cut and splice' genetic algorithms in the structural optimization of atomic clusters Chem. Phys. Lett. 473 4-6 2009 363 366
-
(2009)
Chem. Phys. Lett.
, vol.473
, Issue.4-6
, pp. 363-366
-
-
Froltsov, V.A.1
Reuter, K.2
-
28
-
-
0043162336
-
An internal-coordinate Monte Carlo method for searching conformational space
-
George Chang, Wayne C. Guida, and W. Clark Still An internal-coordinate Monte Carlo method for searching conformational space J. Am. Chem. Soc. 111 12 1989 4379 4386
-
(1989)
J. Am. Chem. Soc.
, vol.111
, Issue.12
, pp. 4379-4386
-
-
Chang, G.1
Guida, W.C.2
Still, W.C.3
-
29
-
-
0031578972
-
Parallel tempering algorithm for conformational studies of biological molecules
-
Ulrich H.E. Hansmann Parallel tempering algorithm for conformational studies of biological molecules Chem. Phys. Lett. 281 1-3 1997 140 150
-
(1997)
Chem. Phys. Lett.
, vol.281
, Issue.1-3
, pp. 140-150
-
-
Hansmann, U.H.E.1
-
30
-
-
84865796611
-
Particle-swarm structure prediction on clusters
-
Jian Lv, Yanchao Wang, Li Zhu, and Yanming Ma Particle-swarm structure prediction on clusters J. Chem. Phys. 137 8 2012 084104
-
(2012)
J. Chem. Phys.
, vol.137
, Issue.8
, pp. 084104
-
-
Lv, J.1
Wang, Y.2
Zhu, L.3
Ma, Y.4
-
31
-
-
26444479778
-
Optimization by simulated annealing
-
S. Kirkpatrick, C.D. Gelatt, and M.P. Vecchi Optimization by simulated annealing. Science 220 4598 1983 671 680
-
(1983)
Science
, vol.220
, Issue.4598
, pp. 671-680
-
-
Kirkpatrick, S.1
Gelatt, C.D.2
Vecchi, M.P.3
-
32
-
-
0026843945
-
Conformational search by potential energy annealing: Algorithm and application to cyclosporin A
-
R.C. van Schaik, Wilfred F. van Gunsteren, and H.J. Berendsen Conformational search by potential energy annealing: algorithm and application to cyclosporin A J. Comput.-Aided Mol. Des. 6 2 1992 97 112
-
(1992)
J. Comput.-Aided Mol. Des.
, vol.6
, Issue.2
, pp. 97-112
-
-
Van Schaik, R.C.1
Van Gunsteren, W.F.2
Berendsen, H.J.3
-
33
-
-
0001176785
-
New optimization method for conformational energy calculations on polypeptides: Conformational space annealing
-
Jooyoung Lee, Harold A. Scheraga, and S. Rackovsky New optimization method for conformational energy calculations on polypeptides: conformational space annealing J. Comput. Chem. 18 9 1997 1222 1232
-
(1997)
J. Comput. Chem.
, vol.18
, Issue.9
, pp. 1222-1232
-
-
Lee, J.1
Scheraga, H.A.2
Rackovsky, S.3
-
34
-
-
80052926121
-
Using swarm intelligence for finding transition states and reaction paths
-
René Fournier, Satya Bulusu, Stephen Chen, and Jamie Tung Using swarm intelligence for finding transition states and reaction paths J. Chem. Phys. 135 10 2011 104117
-
(2011)
J. Chem. Phys.
, vol.135
, Issue.10
, pp. 104117
-
-
Fournier, R.1
Bulusu, S.2
Chen, S.3
Tung, J.4
-
35
-
-
43949148528
-
Tabu search for nonlinear and parametric optimization (with links to genetic algorithms)
-
Fred Glover Tabu search for nonlinear and parametric optimization (with links to genetic algorithms) Discreet Appl. Math. 49 1-3 1994 231 255
-
(1994)
Discreet Appl. Math.
, vol.49
, Issue.1-3
, pp. 231-255
-
-
Glover, F.1
-
36
-
-
79958215566
-
Efficiency of tabu-search-based conformational search algorithms
-
Christoph Grebner, Johannes Becker, Svetlana Stepanenko, and Bernd Engels Efficiency of tabu-search-based conformational search algorithms J. Comput. Chem. 32 10 2011 2245 2253
-
(2011)
J. Comput. Chem.
, vol.32
, Issue.10
, pp. 2245-2253
-
-
Grebner, C.1
Becker, J.2
Stepanenko, S.3
Engels, B.4
-
37
-
-
33846643540
-
Gradient tabu search
-
Svetlana Stepanenko, and Bernd Engels Gradient tabu search J. Comput. Chem. 28 2 2007 601 611
-
(2007)
J. Comput. Chem.
, vol.28
, Issue.2
, pp. 601-611
-
-
Stepanenko, S.1
Engels, B.2
-
38
-
-
65249086250
-
The performance of minima hopping and evolutionary algorithms for cluster structure prediction
-
Sandro E. Schönborn, Stefan Goedecker, Shantanu Roy, and Artem R. Oganov The performance of minima hopping and evolutionary algorithms for cluster structure prediction J. Chem. Phys. 130 14 2009 144108
-
(2009)
J. Chem. Phys.
, vol.130
, Issue.14
, pp. 144108
-
-
Schönborn, S.E.1
Goedecker, S.2
Roy, S.3
Oganov, A.R.4
-
39
-
-
79955917908
-
Artificial bee colony optimization of capping potentials for hybrid quantum mechanical/molecular mechanical calculations
-
Christoph Schiffmann, and Daniel Sebastiani Artificial bee colony optimization of capping potentials for hybrid quantum mechanical/molecular mechanical calculations J. Chem. Theory Comput. 7 5 2011 1307 1315
-
(2011)
J. Chem. Theory Comput.
, vol.7
, Issue.5
, pp. 1307-1315
-
-
Schiffmann, C.1
Sebastiani, D.2
-
40
-
-
83455200121
-
Specific quantum mechanical/molecular mechanical capping-potentials for biomolecular functional groups
-
Arvid Conrad Ihrig, Christoph Schiffmann, and Daniel Sebastiani Specific quantum mechanical/molecular mechanical capping-potentials for biomolecular functional groups J. Chem. Phys. 135 21 2011 214107
-
(2011)
J. Chem. Phys.
, vol.135
, Issue.21
, pp. 214107
-
-
Conrad Ihrig, A.1
Schiffmann, C.2
Sebastiani, D.3
-
41
-
-
70649102125
-
Parameter optimization of a multi-pass milling process using non-traditional optimization algorithms
-
R. Venkata Rao, and P.J. Pawar Parameter optimization of a multi-pass milling process using non-traditional optimization algorithms Appl. Soft Comput. 10 2 2010 445 456
-
(2010)
Appl. Soft Comput.
, vol.10
, Issue.2
, pp. 445-456
-
-
Venkata Rao, R.1
Pawar, P.J.2
-
42
-
-
78751618984
-
Artificial Bee Colony algorithm for optimization of truss structures
-
Mustafa Sonmez Artificial Bee Colony algorithm for optimization of truss structures Appl. Soft Comput. 11 2 2011 2406 2418
-
(2011)
Appl. Soft Comput.
, vol.11
, Issue.2
, pp. 2406-2418
-
-
Sonmez, M.1
-
43
-
-
58549117667
-
An artificial bee colony algorithm for the leaf-constrained minimum spanning tree problem
-
Alok Singh An artificial bee colony algorithm for the leaf-constrained minimum spanning tree problem Appl. Soft Comput. 9 2 2009 625 631
-
(2009)
Appl. Soft Comput.
, vol.9
, Issue.2
, pp. 625-631
-
-
Singh, A.1
-
44
-
-
77953649650
-
A swarm intelligence approach to the quadratic minimum spanning tree problem
-
Shyam Sundar, and Alok Singh A swarm intelligence approach to the quadratic minimum spanning tree problem Inf. Sci. 180 17 2010 3182 3191
-
(2010)
Inf. Sci.
, vol.180
, Issue.17
, pp. 3182-3191
-
-
Sundar, S.1
Singh, A.2
-
45
-
-
78751613501
-
Forecasting stock markets using wavelet transforms and recurrent neural networks: An integrated system based on artificial bee colony algorithm
-
Tsung-Jung Hsieh, Hsiao-Fen Hsiao, and Wei-Chang Yeh Forecasting stock markets using wavelet transforms and recurrent neural networks: an integrated system based on artificial bee colony algorithm Appl. Soft Comput. 11 2 2011 2510 2525
-
(2011)
Appl. Soft Comput.
, vol.11
, Issue.2
, pp. 2510-2525
-
-
Hsieh, T.-J.1
Hsiao, H.-F.2
Yeh, W.-C.3
-
46
-
-
80053598579
-
An artificial bee colony algorithm for the job shop scheduling problem with random processing times
-
Rui Zhang, and Cheng Wu An artificial bee colony algorithm for the job shop scheduling problem with random processing times Entropy 13 9 2011 1708 1729
-
(2011)
Entropy
, vol.13
, Issue.9
, pp. 1708-1729
-
-
Zhang, R.1
Wu, C.2
-
47
-
-
84870213499
-
Foraging on the potential energy surface: A swarm intelligence-based optimizer for molecular geometry
-
Christoph Wehmeyer, Guido Falk von Rudorff, Sebastian Wolf, Gabriel Kabbe, Daniel Schärf, Thomas D. Kühne, and Daniel Sebastiani Foraging on the potential energy surface: a swarm intelligence-based optimizer for molecular geometry J. Chem. Phys. 137 19 2012 194110
-
(2012)
J. Chem. Phys.
, vol.137
, Issue.19
, pp. 194110
-
-
Wehmeyer, C.1
Von Rudorff, G.F.2
Wolf, S.3
Kabbe, G.4
Schärf, D.5
Kühne, T.D.6
Sebastiani, D.7
-
48
-
-
34548479029
-
On the performance of artificial bee colony (ABC) algorithm
-
Dervis Karaboga, and Bahriye Basturk On the performance of artificial bee colony (ABC) algorithm Appl. Soft Comput. 8 1 2008 687 697
-
(2008)
Appl. Soft Comput.
, vol.8
, Issue.1
, pp. 687-697
-
-
Karaboga, D.1
Basturk, B.2
-
49
-
-
0001195575
-
On the determination of molecular fields. II. From the equation of state of a gas
-
J.E. Jones On the determination of molecular fields. ii. From the equation of state of a gas Proc. R. Soc. A-Math. Phys. Eng. Sci. 106 738 1924 463 477
-
(1924)
Proc. R. Soc. A-Math. Phys. Eng. Sci.
, vol.106
, Issue.738
, pp. 463-477
-
-
Jones, J.E.1
-
50
-
-
12144268141
-
Diatomic molecules according to the wave mechanics. II. Vibrational levels
-
Philip Morse Diatomic molecules according to the wave mechanics. II. vibrational levels Phys. Rev. 34 1 1929 57 64
-
(1929)
Phys. Rev.
, vol.34
, Issue.1
, pp. 57-64
-
-
Morse, P.1
-
51
-
-
4243420264
-
Empirical interatomic potential for carbon, with applications to amorphous-carbon
-
J. Tersoff Empirical interatomic potential for carbon, with applications to amorphous-carbon Phys. Rev. Lett. 61 25 1988 2879 2882
-
(1988)
Phys. Rev. Lett.
, vol.61
, Issue.25
, pp. 2879-2882
-
-
Tersoff, J.1
-
52
-
-
0039581301
-
Reproducibility of various properties of small carbon clusters using model potential functions
-
T. Halicioglu Reproducibility of various properties of small carbon clusters using model potential functions Chem. Phys. Lett. 179 1-2 1991 159 164
-
(1991)
Chem. Phys. Lett.
, vol.179
, Issue.1-2
, pp. 159-164
-
-
Halicioglu, T.1
-
53
-
-
0000020246
-
A five-site model for liquid water and the reproduction of the density anomaly by rigid, nonpolarizable potential functions
-
Michael W. Mahoney, and William L. Jorgensen A five-site model for liquid water and the reproduction of the density anomaly by rigid, nonpolarizable potential functions J. Chem. Phys. 112 20 2000 8910 8922
-
(2000)
J. Chem. Phys.
, vol.112
, Issue.20
, pp. 8910-8922
-
-
Mahoney, M.W.1
Jorgensen, W.L.2
-
54
-
-
80855139855
-
Optimization of a genetic algorithm for searching molecular conformer space
-
Zoe E. Brain, and Matthew A. Addicoat Optimization of a genetic algorithm for searching molecular conformer space J. Chem. Phys. 135 17 2011 174106
-
(2011)
J. Chem. Phys.
, vol.135
, Issue.17
, pp. 174106
-
-
Brain, Z.E.1
Addicoat, M.A.2
-
55
-
-
79959981089
-
Parametric optimization of some non-traditional machining processes using artificial bee colony algorithm
-
Suman Samanta, and Shankar Chakraborty Parametric optimization of some non-traditional machining processes using artificial bee colony algorithm Eng. Appl. Artif. Intell. 24 6 2011 946 957
-
(2011)
Eng. Appl. Artif. Intell.
, vol.24
, Issue.6
, pp. 946-957
-
-
Samanta, S.1
Chakraborty, S.2
-
56
-
-
0003615949
-
-
David J. Wales, Jonathan P.K. Doye, A. Dullweber, Matthew P. Hodges, F.Y. Naumkin, F. Calvo, Javier Hernández-Rojas, T.F. Middleton, The Cambridge Cluster Database, 2012, http://www-wales.ch.cam.ac.uk/CCD.html.
-
(2012)
The Cambridge Cluster Database
-
-
Wales, D.J.1
Doye, J.P.K.2
Dullweber, A.3
Hodges, M.P.4
Naumkin, F.Y.5
Calvo, F.6
Hernández-Rojas, J.7
Middleton, T.F.8
-
57
-
-
33744478421
-
Larger water clusters with edges and corners on their way to ice: Structural trends elucidated with an improved parallel evolutionary algorithm
-
Bernhard Bandow, and Bernd Hartke Larger water clusters with edges and corners on their way to ice: structural trends elucidated with an improved parallel evolutionary algorithm J. Phys. Chem. A 110 17 2006 5809 5822
-
(2006)
J. Phys. Chem. A
, vol.110
, Issue.17
, pp. 5809-5822
-
-
Bandow, B.1
Hartke, B.2
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