Modern Methods of Crystal Structure Prediction
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Published By Wiley-VCH Verlag Gmbh & Co. Kgaa

9783527632831, 9783527409396

Latest Documents Most Cited Documents Contributed Authors Related Sources Related Keywords

Front Matter

Modern Methods of Crystal Structure Prediction ◽

10.1002/9783527632831.fmatter ◽

2010 ◽

pp. I-X

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Predicting Solid Compounds Using Simulated Annealing

Modern Methods of Crystal Structure Prediction ◽

10.1002/9783527632831.ch4 ◽

2010 ◽

pp. 67-105 ◽

Author(s):

J. Christian Schön ◽

Martin Jansen

Keyword(s):

Simulated Annealing ◽

Solid Compounds

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Energy Landscapes and Structure Prediction Using Basin-Hopping

Modern Methods of Crystal Structure Prediction ◽

10.1002/9783527632831.ch2 ◽

2010 ◽

pp. 29-54 ◽

Author(s):

David J. Wales

Keyword(s):

Structure Prediction ◽

Energy Landscapes ◽

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Colour Plates

Modern Methods of Crystal Structure Prediction ◽

10.1002/9783527632831.ins ◽

2010 ◽

pp. c1-c13

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Random Search Methods

Modern Methods of Crystal Structure Prediction ◽

10.1002/9783527632831.ch3 ◽

2010 ◽

pp. 55-66 ◽

Author(s):

William W. Tipton ◽

Richard G. Hennig

Keyword(s):

Random Search ◽

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Introduction: Crystal Structure Prediction, a Formidable Problem

Modern Methods of Crystal Structure Prediction ◽

10.1002/9783527632831.ch ◽

2010 ◽

pp. 11-21

Keyword(s):

Crystal Structure ◽

Structure Prediction ◽

Crystal Structure Prediction

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Appendix: First Blind Test of Inorganic Crystal Structure Prediction Methods

Modern Methods of Crystal Structure Prediction ◽

10.1002/9783527632831.app1 ◽

2010 ◽

pp. 223-231

Keyword(s):

Crystal Structure ◽

Structure Prediction ◽

Prediction Methods ◽

Crystal Structure Prediction ◽

Inorganic Crystal

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Pathways of Structural Transformations in Reconstructive Phase Transitions: Insights from Transition Path Sampling Molecular Dynamics

Modern Methods of Crystal Structure Prediction ◽

10.1002/9783527632831.ch8 ◽

2010 ◽

pp. 181-221 ◽

Author(s):

Stefano Leoni ◽

Salah Eddine Boulfelfel

Keyword(s):

Molecular Dynamics ◽

Phase Transitions ◽

Structural Transformations ◽

Path Sampling ◽

Transition Path ◽

Transition Path Sampling

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Index

Modern Methods of Crystal Structure Prediction ◽

10.1002/9783527632831.index ◽

2010 ◽

pp. 247-251

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Periodic-Graph Approaches in Crystal Structure Prediction

Modern Methods of Crystal Structure Prediction ◽

10.1002/9783527632831.ch1 ◽

2010 ◽

pp. 1-28 ◽

Author(s):

Vladislav A. Blatov ◽

Davide M. Proserpio

Keyword(s):

Crystal Structure ◽

Structure Prediction ◽

Crystal Structure Prediction ◽

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