메뉴 건너뛰기




Volumn , Issue , 2010, Pages 55-66

Random Search Methods

Author keywords

Bayesian analysis; Density functional theory (DFT); Genetic algorithm; Lennard Jones systems; Murrell Mottram potential; Nearest neighbor distances

Indexed keywords


EID: 84886000976     PISSN: None     EISSN: None     Source Type: Book    
DOI: 10.1002/9783527632831.ch3     Document Type: Chapter
Times cited : (8)

References (45)
  • 1
    • 16544369632 scopus 로고    scopus 로고
    • Rational development of new materials -putting the cart before the horse?
    • Jansen, M. and Schon, J. C. (2004) Rational development of new materials -putting the cart before the horse? Nature Materials, 3.
    • (2004) Nature Materials , pp. 3
    • Jansen, M.1    Schon, J.C.2
  • 2
    • 84885984078 scopus 로고    scopus 로고
    • Design in chemican synthesis -an illusion?
    • Jansen, M. and Christian Schon, J. (2006) Design in chemican synthesis -an illusion? Angew. Chem. Int. Ed., 45.
    • (2006) Angew. Chem. Int. Ed , pp. 45
    • Jansen, M.1    Schon, C.J.2
  • 3
    • 84864540697 scopus 로고    scopus 로고
    • Density Functional Theory: A Practical Introduction
    • Wiley, New York.
    • Sholl, D. A. and Steckel, J. A. (2009) Density Functional Theory: A Practical Introduction. Wiley, New York.
    • (2009)
    • Sholl, D.A.1    Steckel, J.A.2
  • 4
    • 0242341371 scopus 로고    scopus 로고
    • The general utility lattice program (gulp)
    • Gale, J. D. and Rohl, A. L. (2003) The general utility lattice program (gulp). Molecular Simulation, 29.
    • (2003) Molecular Simulation , pp. 29
    • Gale, J.D.1    Rohl, A.L.2
  • 6
    • 0001246181 scopus 로고    scopus 로고
    • First-principles theory of vibrational effects on the phase stability of cu-au compounds and alloys
    • Ozolins, V., Wolverton, C., and Zunger, A. (1998) First-principles theory of vibrational effects on the phase stability of cu-au compounds and alloys. Physical Review B, 58.
    • (1998) Physical Review B , pp. 58
    • Ozolins, V.1    Wolverton, C.2    Zunger, A.3
  • 8
    • 40849136341 scopus 로고    scopus 로고
    • Entropy driven stabilization of energetically unstable crystal structures explained from first principles theory
    • Souvatzis, P., Eriksson, O., Katsnelson, M. I., and Rudin, S. P. (2008) Entropy driven stabilization of energetically unstable crystal structures explained from first principles theory. Phys. Rev. Letter., 100.
    • (2008) Phys. Rev. Letter , pp. 100
    • Souvatzis, P.1    Eriksson, O.2    Katsnelson, M.I.3    Rudin, S.P.4
  • 9
    • 1642298844 scopus 로고    scopus 로고
    • Global optimization of silicon nanoclusters
    • Chaudhuri, I. et. al. (2004) Global optimization of silicon nanoclusters. Applied Surface Science, 226.
    • (2004) Applied Surface Science , pp. 226
    • Chaudhuri, I.et.al.1
  • 12
    • 0002634024 scopus 로고
    • The convergence of the random search method in the extremal control of a many-parameter system
    • Rastrigin, L. A. (1963) The convergence of the random search method in the extremal control of a many-parameter system. Authomat. Remote Control, 24.
    • (1963) Authomat. Remote Control , pp. 24
    • Rastrigin, L.A.1
  • 13
    • 0000881273 scopus 로고
    • Random search techniques for optimization problems
    • Karnopp, D. C. (1963) Random search techniques for optimization problems. Automatica, 1.
    • (1963) Automatica , pp. 1
    • Karnopp, D.C.1
  • 14
    • 0013025914 scopus 로고    scopus 로고
    • Introduction to Stochastic Search and Optimization
    • Wiley, New York.
    • Spall, J. C. (2003) Introduction to Stochastic Search and Optimization. Wiley, New York.
    • (2003)
    • Spall, J.C.1
  • 15
    • 52449114798 scopus 로고    scopus 로고
    • Stochastic Global Optimization
    • Springer, Berlin.
    • Zhigljavsky, A. and Zilinskas, A. (2007) Stochastic Global Optimization. Springer, Berlin.
    • (2007)
    • Zhigljavsky, A.1    Zilinskas, A.2
  • 18
    • 0003474751 scopus 로고    scopus 로고
    • Numerical Recipes: The Art of Scientific Computing
    • Cambridge University Press, 3 edition
    • Press, W. H. et. al. (2007) Numerical Recipes: The Art of Scientific Computing. Cambridge University Press, 3 edition
    • (2007)
    • Press, W.H.et.al.1
  • 19
    • 84986524957 scopus 로고
    • Convergence acceleration of iterative sequences. the case of scf iteration
    • Pulay, P. (1980) Convergence acceleration of iterative sequences. the case of scf iteration. Chemical Physics Letters, 73: 393-398
    • (1980) Chemical Physics Letters , vol.73 , pp. 393-398
    • Pulay, P.1
  • 20
    • 0344177974 scopus 로고    scopus 로고
    • Energy landscapes with applications to clusters, biomolecules and glasses
    • Cambridge University Press, Cambridge.
    • Wales, D. (2003) Energy landscapes with applications to clusters, biomolecules and glasses. Cambridge University Press, Cambridge.
    • (2003)
    • Wales, D.1
  • 21
    • 38549139481 scopus 로고    scopus 로고
    • Emergent reduction of electronic state dimensionality in dense ordered li-be alloys
    • Feng, J., Hennig, R. G., Ashcroft, N. W., and Hoffman, Roald (2008) Emergent reduction of electronic state dimensionality in dense ordered li-be alloys. Nature, 451.
    • (2008) Nature , pp. 451
    • Feng, J.1    Hennig, R.G.2    Ashcroft, N.W.3    Hoffman, R.4
  • 23
    • 0001109952 scopus 로고
    • Potential surfaces and dynamics: What clusters tell us
    • Berry, R. S. (1993) Potential surfaces and dynamics: What clusters tell us. Chemical Review, 93.
    • (1993) Chemical Review , pp. 93
    • Berry, R.S.1
  • 24
    • 0001872148 scopus 로고    scopus 로고
    • Exponential multiplicity of inherent structures
    • Stillinger, F. H. (1999) Exponential multiplicity of inherent structures. Physical Review E, 59.
    • (1999) Physical Review E , pp. 59
    • Stillinger, F.H.1
  • 25
    • 33847166923 scopus 로고    scopus 로고
    • Graphite intercalation compounds under pressure: A first-principles density functional theory study
    • Csanyi, G., Pickard, C. J., Simons, B. D., and Needs, R. J. (2007) Graphite intercalation compounds under pressure: A first-principles density functional theory study. Physical Review B, 75.
    • (2007) Physical Review B , pp. 75
    • Csanyi, G.1    Pickard, C.J.2    Simons, B.D.3    Needs, R.J.4
  • 27
    • 0040094873 scopus 로고
    • Determination of candidate structures for lennard-jones-crystals through cell optimisation
    • Schon, J. C. and Jansen, M. (1994) Determination of candidate structures for lennard-jones-crystals through cell optimisation. Ber. Bunsenges. Phys. Chem., 98.
    • (1994) Ber. Bunsenges. Phys. Chem , pp. 98
    • Schon, J.C.1    Jansen, M.2
  • 28
    • 49249123940 scopus 로고    scopus 로고
    • c at the verge of a simultaneous order-disorder and lattice-softening transition in superconducting cac6
    • Gauzzi, A. et. al. (2008) Maximum Tc at the verge of a simultaneous order-disorder and lattice-softening transition in superconducting cac6. Physical Review B, 78.
    • (2008) Physical Review B , pp. 78
    • Gauzzi, A.et.al.1
  • 29
    • 56349101851 scopus 로고    scopus 로고
    • Hydrogen/silicon complexes in silicon from computational searches
    • Morris, A. J., Pickard, C. J., and Needs, R. J. (2008) Hydrogen/silicon complexes in silicon from computational searches. Physical Review B, 78.
    • (2008) Physical Review B , pp. 78
    • Morris, A.J.1    Pickard, C.J.2    Needs, R.J.3
  • 30
    • 34547264361 scopus 로고    scopus 로고
    • Structure of phase III of solid hydrogen
    • Pickard, C. J. and Needs, R. J. (2007) Structure of phase III of solid hydrogen. Nature Physics, 3.
    • (2007) Nature Physics , pp. 3
    • Pickard, C.J.1    Needs, R.J.2
  • 34
    • 35648931044 scopus 로고    scopus 로고
    • Metallization of aluminum hydride at high pressures: A first-principles study
    • Pickard, C. J. and Needs, R. J. (2007) Metallization of aluminum hydride at high pressures: A first-principles study. Physical Review B, 76.
    • (2007) Physical Review B , pp. 76
    • Pickard, C.J.1    Needs, R.J.2
  • 36
    • 84886045744 scopus 로고    scopus 로고
    • Structures at high pressure from random searching
    • Pickard, C. J. and Needs, R. J. (2008) Structures at high pressure from random searching. Physica Status Solidi, 246.
    • (2008) Physica Status Solidi , pp. 246
    • Pickard, C.J.1    Needs, R.J.2
  • 37
    • 0032379293 scopus 로고    scopus 로고
    • Modelling aluminum clusters with an empirical many-body potential
    • Lloyd, L. D. and Johnston, R. L. (1998) Modelling aluminum clusters with an empirical many-body potential. Chemical Physics, 236.
    • (1998) Chemical Physics , pp. 236
    • Lloyd, L.D.1    Johnston, R.L.2
  • 39
    • 0029889474 scopus 로고    scopus 로고
    • Recent developments in the theory of protein folding: searching for the global energy minimum
    • Scheraga, H. A. (1996) Recent developments in the theory of protein folding: searching for the global energy minimum. Biophysical Chemistry, 59.
    • (1996) Biophysical Chemistry , pp. 59
    • Scheraga, H.A.1
  • 40
    • 0033610078 scopus 로고    scopus 로고
    • Global optimization of clusters, crystals, and biomolecules
    • Wales, D. J. and Scheraga, H. A. (1999) Global optimization of clusters, crystals, and biomolecules. Science, 285.
    • (1999) Science , pp. 285
    • Wales, D.J.1    Scheraga, H.A.2
  • 42
    • 0033562076 scopus 로고    scopus 로고
    • The prediction of inorganic crystal structures using a genetic algorithm and energy minimisation
    • Woodley, S. M., Battle, P. D., Gale, J. D., Richard, C., and Catlow, A. (1999) The prediction of inorganic crystal structures using a genetic algorithm and energy minimisation. Phys. Chem. Chem. Phys., 1.
    • (1999) Phys. Chem. Chem. Phys , pp. 1
    • Woodley, S.M.1    Battle, P.D.2    Gale, J.D.3    Richard, C.4    Catlow, A.5
  • 43
    • 0000201963 scopus 로고    scopus 로고
    • A test of crystal structure prediction of small organic molecules
    • Lommerse, J. P. M. et. al. (2000) A test of crystal structure prediction of small organic molecules. Acta Cryst., B56.
    • (2000) Acta Cryst
    • Lommerse J.P.M1
  • 44
    • 84885971178 scopus 로고    scopus 로고
    • Crystal structure predition of small organic molecules: a second blind test
    • Motherwell, W. D. S. et. al. (2002) Crystal structure predition of small organic molecules: a second blind test. Acta Cryst., B58.
    • (2002) Acta Cryst
    • Motherwell W.D.S1
  • 45
    • 70350528568 scopus 로고    scopus 로고
    • Thermodynamic and mechanical stabilities of tantalum nitride
    • Jiang, C., Lin, Z., and Zhao, Y. (2009) Thermodynamic and mechanical stabilities of tantalum nitride. Physical Review Leters, 103.
    • (2009) Physical Review Leters , pp. 103
    • Jiang, C.1    Lin, Z.2    Zhao, Y.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.