Modern methods of crystal structure prediction AR Oganov John Wiley & Sons, 2011 | 455 | 2011 |

First step towards planning of syntheses in solid‐state chemistry: determination of promising structure candidates by global optimization JC Schön, M Jansen Angewandte Chemie International Edition in English 35 (12), 1286-1304, 1996 | 369 | 1996 |

Combined method for ab initio structure solution from powder diffraction data H Putz, JC Schön, M Jansen Journal of applied crystallography 32 (5), 864-870, 1999 | 310 | 1999 |

Determination of symmetries and idealized cell parameters for simulated structures R Hundt, JC SchoÈn, A Hannemann, M Jansen Journal of applied crystallography 32 (3), 413-416, 1999 | 201 | 1999 |

Simulation of thermal conductivity and heat transport in solids C Oligschleger, JC Schön Physical Review B 59 (6), 4125, 1999 | 189 | 1999 |

Contact structure in thermodynamic theory R Mrugala, JD Nulton, JC Schön, P Salamon Reports on mathematical physics 29 (1), 109-121, 1991 | 173 | 1991 |

Determination, prediction, and understanding of structures, using the energy landscapes of chemical systems-Part I JC Schön, M Jansen Zeitschrift für Kristallographie-Crystalline Materials 216 (6), 307-325, 2001 | 161 | 2001 |

Emergent hierarchical structures in complex-system dynamics P Sibani, JC Schön, P Salamon, JO Andersson Europhysics Letters 22 (7), 479, 1993 | 146 | 1993 |

A new algorithm for space-group determination A Hannemann, R Hundt, JC Schön, M Jansen Journal of applied crystallography 31 (6), 922-928, 1998 | 145 | 1998 |

Stoßspannungsverfahren zur Untersuchung sehr schnell verlaufender Ionenreaktionen in wässeriger Lösung M Eigen, J Schoen Zeitschrift für Elektrochemie, Berichte der Bunsengesellschaft für …, 1955 | 136 | 1955 |

Computational design and prediction of interesting not‐yet‐synthesized structures of inorganic materials by using building unit concepts C Mellot‐Draznieks, S Girard, G Férey, JC Schön, Z Cancarevic, ... Chemistry–A European Journal 8 (18), 4102-4113, 2002 | 131 | 2002 |

“Design” in chemical synthesis—an illusion? M Jansen, JC Schön Angewandte Chemie International Edition 45 (21), 3406-3412, 2006 | 130 | 2006 |

CMPZ–an algorithm for the efficient comparison of periodic structures R Hundt, JC Schön, M Jansen Journal of applied crystallography 39 (1), 6-16, 2006 | 128 | 2006 |

Statistical approach to the geometric structure of thermodynamics R Mrugala, JD Nulton, JC Schön, P Salamon Physical Review A 41 (6), 3156, 1990 | 125 | 1990 |

Studying the energy hypersurface of continuous systems-the threshold algorithm JC Schön, H Putz, M Jansen Journal of Physics: Condensed Matter 8 (2), 143, 1996 | 122 | 1996 |

Structure prediction based on *ab initio* simulated annealing for boron nitrideK Doll, JC Schön, M Jansen Physical Review B—Condensed Matter and Materials Physics 78 (14), 144110, 2008 | 112 | 2008 |

Determination of candidate structures for simple ionic compounds through cell optimisation JC Schön, M Jansen Computational materials science 4 (1), 43-58, 1995 | 108 | 1995 |

Structure prediction of high-pressure phases for alkali metal sulfides JC Schön, Ž Čančarević, M Jansen The Journal of chemical physics 121 (5), 2289-2304, 2004 | 105 | 2004 |

Predicting solid compounds via global exploration of the energy landscape of solids on the *ab initio* level without recourse to experimental informationJC Schön, K Doll, M Jansen physica status solidi (b) 247 (1), 23-39, 2010 | 103 | 2010 |

Prediction of structure candidates for zinc oxide as a function of pressure and investigation of their electronic properties D Zagorac, JC Schön, J Zagorac, M Jansen Physical Review B 89 (7), 075201, 2014 | 93 | 2014 |