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 · 605 citations · Full text

Natural Sciences, Chemistry, Medicinal Chemistry +12

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 · 446 citations · Full text

Natural Sciences, Chemistry, Computational Chemistry +14

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 · 432 citations · Full text

Natural Sciences, Chemistry, Computational Chemistry +13

A Major Advance in Crystal Structure Prediction

Marcus A. Neumann, Frank J. J. Leusen, John Kendrick · Angewandte Chemie International Edition · 2008 · 346 citations

Natural Sciences, Chemistry, Physics +17

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

Marcus A. Neumann · Journal of Applied Crystallography · 2003 · 323 citations

Natural Sciences, Materials Science, Crystal Structure +13