Marcus A. Neumann

Report on the sixth blind test of organic crystal structure prediction methods

Anthony M. Reilly, Richard I. Cooper, Claire S. Adjiman et al. · Acta Crystallographica Section B Structural Science Crystal Engineering and Materials · 2016 · 593 citations · Full text

Crystal Structure, Engineering, Organic Chemistry +16

Significant progress in predicting the crystal structures of small organic molecules – a report on the fourth blind test

Graeme M. Day, Timothy G. Cooper, Aurora J. Cruz‐Cabeza et al. · Acta Crystallographica Section B Structural Science · 2009 · 440 citations · Full text

Small Organic Molecules, Crystal Structure, Engineering +15

Towards crystal structure prediction of complex organic compounds – a report on the fifth blind test

David A. Bardwell, Claire S. Adjiman, Yelena A. Arnautova et al. · Acta Crystallographica Section B Structural Science · 2011 · 426 citations · Full text

Materials Science, Crystal Structure, Engineering +14

A Major Advance in Crystal Structure Prediction

Marcus A. Neumann, Frank J. J. Leusen, John Kendrick · Angewandte Chemie International Edition · 2008 · 344 citations

Materials Science, Crystal Structure, Molecular Solid +15

<i>X-Cell</i>: a novel indexing algorithm for routine tasks and difficult cases

Marcus A. Neumann · Journal of Applied Crystallography · 2003 · 317 citations

X-ray Crystallography, Engineering, Difficult Cases +20