REFERENCES
- Sastry , K. ; Johnson , D.D. ; Goldberg , D.E. ; Bellon , P. Genetic programming for multiscale modeling . International Journal of Multiscale Computational Engineering 2004 , 2 ( 2 ), 293 – 256 .
- Sastry , K. ; Johnson , D.D. ; Goldberg , D.E. ; Bellon , P. Genetic programming for multi-timescale modeling . Physical Review B 2005 , 72 , 085438 .
- Ben-Nun , M. ; Martinez , T.J. Ab Initio quantum molecular dynamics . Advances in Chemical Physics 2002 , 121 , 439 – 512 .
- Ben-Nun , M. ; Quenneville , J. ; Martinez , T.J. Ab Initio multiple spawning: Photochemistry from first principles quantum molecular dynamics . Journal of Physical Chemistry A 2000 , 104 ( 22 ), 5161 – 5175 .
- Toniolo , A. ; Levine , B. ; Thompson , A.L. ; Quenneville , J. ; Ben-Nun , M. ; Owens , J. ; Olsen , S. ; Manohar , L. ; Martinez , T.J. Photochemistry from first principles and direct dynamics . In Computational Methods in Organic Photochemistry ; Kutateladze , A. , Ed.; Marcel-Dekker : New York , NY , 2005 .
- Dewar , M.J.S. ; Thiel , W. The MNDO method. Approximations and parameters . Journal of the American Chemical Society 1977 , 99 ( 15 ), 4899 – 4907 .
- Dewar , M.J.S. ; Zoebisch , E.G. ; Healy , E.F. ; Stewart , J.J.P. AM1: A new general purpose quantum mechanical molecular model . Journal of the Americal Chemical Society 1985 , 107 ( 13 ), 3902 – 3909 .
- Stewart , J.J.P. Optimization of parameters for semiempirical methods 1. Method . Journal of Computational Chemistry 1989 , 10 ( 2 ), 209 – 220 .
- Owens , J.M. Theoretical Studies of the Solvation, Dynamics, and Photochemistry of Ethylene, Retinal Protonated Schiff Base, Oligocellulose, and Gd(III) Clusters . Doctoral dissertation, University of Illinois at Urbana-Champaign, Department of Chemistry , Urbana , IL , 2004 .
- Toniolo , A. ; Thompson , A.L. ; Martinez , T.J. Excited state direct dynamics of benzene with reparameterized multireference semiempirical configuration interaction methods . Chemical Physics 2004 , 304 , 133 – 145 .
- Granucci , G. ; Toniolo , A. Molecular gradients for semiempirical CI wavefunctions with floating occupation molecular orbitals . Chemical Physics Letters 2000 , 325 , 79 – 85 .
- Ben-Nun , M. ; Martinez , T.J. Photodynamics of ethylene: Ab initio studies of conical intersections . Chemical Physics 2000 , 259 , 237 – 248 .
- Stewart , J.J.P. MOPAC 2000 . Fujitsu Limited : Tokyo , Japan , 1999 .
- et al. . MOLPRO, version 2002.2, a package of ab initio programs. Available at http://www.molpro.net.
- et al. . MOLCAS version 5.2. Lund University : Sweden , 2001 .
- Goldberg , D.E. Genetic Algorithms in Search Optimization and Machine Learning ; Addison-Wesley : Reading , MA , 1989 .
- Goldberg , D.E. Design of Innovation: Lessons from and for Competent Genetic Algorithms ; Kluwer Academic Publishers : Boston , MA , 2002 .
- Holland , J.H. Adaptation in Natural and Artificial Systems ; University of Michigan Press : Ann Arbor , MI , 1975 .
- Deb , K. Multi-Objective Optimization Using Evolutionary Algorithms ; John Wiley and Sons : Chichester , UK , 2001 .
- Coello Coello , C.A. ; Van Veldhuizen , D.A. Lamont , G.B. Evolutionary Algorithms for Solving Multi-Objective Problems ; Kluwer Academic Publishers : Boston , MA , 2002 .
- Deb , K. ; Pratap , A. ; Agrawal , S. ; Meyarivan , T. A fast elitist nondominated sorting genetic algorithm for multi-objective optimization: NSGA-II . IEEE Transactions on Evolutionary Computation 2002 , 6 ( 2 ), 182 – 197 .
- Goldberg , D.E. ; Deb , K. ; Clark , J.H. Genetic algorithms, noise, and the sizing of populations . Complex Systems 1992 , 6 , 333 – 362 .
- Harik , G. ; Cantú-Paz , E. ; Goldberg , D.E. ; Miller , B.L. The gambler's ruin problem, genetic algorithms, and the sizing of populations . Evolutionary Computation 1999 , 7 ( 3 ), 231 – 253 .
- Mahfoud , S.W. Population size and genetic drift in fitness sharing . Foundations of Genetic Algorithms 1994 , 3 , 185 – 224 .
- Goldberg , D.E. ; Korb , B. ; Deb , K. Messy genetic algorithms: Motivation, analysis, and first results . Complex Systems 1989 , 3 ( 5 ), 493 – 530 .
- Sastry , K. ; Goldberg , D.E. Modeling tournament selection with replacement using apparent added noise . Intelligent Engineering Systems through Artificial Neural Networks 2001 , 11 , 129 – 134 .
- Deb , K. ; Agarwal , R. Simulated binary crossover for continuous search space . Complex Systems 1995 , 9 , 115 – 148 .
- Deb , K. ; Kumar , A. Real-coded genetic algorithms with simulated binary crossover: Studies on multimodal and multiobjective problems . Complex Systems 1995 , 9 , 431 – 454 .
- Radloff , W. ; Stert , V. ; Freudenberg , Th. ; Hertel , C. ; Jouvet , D. ; Dedonder-Lardeux , C. ; Solgadi , D. Internal conversion in highly excited benzene and benzene dimer: Femtosecond time-resolved photoelectron spectroscopy . Chemical Physics Letters 1997 , 21 ( 1–3 ), 20 – 26 .
- Pelikan , M. Hierarchical Bayesian Optimization Algorithm: Toward a New Generation of Evolutionary Algorithm ; Springer Verlag : Berlin , 2005 .
- Pelikan , M. ; Sastry , K. ; Cantú-Paz , E. ; Eds. Scalable Optimization via Probabilistic Modeling: From Algorithms to Applications . Springer Verlag , 2006 .
- Ahn , C.W. Theory, Design, and Application of Efficient Genetic and Evolutionary Algorithms. PhD thesis, Gwangju Institute of Science and Technology , Korea , 2005 .
- Koza , J.R. Genetic Programming: On the Programming of Computers by Means of Natural Selection ; MIT Press : Cambridge , MA , 1992 .
- Koza , J.R. ; Keane , M.A. ; Streeter , M.J. ; Mydlowec , W. ; Yu , J. ; Lanza , G. Genetic Programming IV: Routine Human-Competitive Machine Intelligence ; Kluwer Academic Publishers : Boston , MA , 2003 .