M
Martin U. Schmidt
Researcher at Goethe University Frankfurt
Publications - 285
Citations - 5865
Martin U. Schmidt is an academic researcher from Goethe University Frankfurt. The author has contributed to research in topics: Crystal structure & Powder diffraction. The author has an hindex of 33, co-authored 259 publications receiving 5182 citations. Previous affiliations of Martin U. Schmidt include Clariant & Centre national de la recherche scientifique.
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Journal ArticleDOI
A test of crystal structure prediction of small organic molecules
Jos P. M. Lommerse,W.D.S. Motherwell,Herman L. Ammon,Jack D. Dunitz,Angelo Gavezzotti,D. W. M. Hofmann,Frank J. J. Leusen,Wijnand T. M. Mooij,Sarah L. Price,B. Schweizer,Martin U. Schmidt,B.P. van Eijck,P. Verwer,D.E. Williams +13 more
TL;DR: A collaborative workshop was held in May 1999 at the Cambridge Crystallographic Data Centre to test how well currently available methods of crystal structure prediction perform when given only the atomic connectivity for an organic compound.
Journal ArticleDOI
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,Katarzyna E. Hejczyk,Herman L. Ammon,Stephan X. M. Boerrigter,Jeffrey S. Tan,Raffaele Guido Della Valle,Elisabetta Venuti,Jovan Jose,Shridhar R. Gadre,Gautam R. Desiraju,Tejender S. Thakur,Bouke P. van Eijck,Julio C. Facelli,Victor E. Bazterra,Marta B. Ferraro,D. W. M. Hofmann,Marcus A. Neumann,Frank J. J. Leusen,John Kendrick,Sarah L. Price,Alston J. Misquitta,Panagiotis G. Karamertzanis,Gareth W. A. Welch,Harold A. Scheraga,Yelena A. Arnautova,Martin U. Schmidt,Jacco van de Streek,Alexandra K. Wolf,Bernd Schweizer +30 more
TL;DR: The results reflect important improvements in modelling methods and suggest that, at least for the small and fairly rigid types of molecules included in this blind test, such calculations can be constructively applied to help understand crystallization and polymorphism of organic molecules.
Journal ArticleDOI
A third blind test of crystal structure prediction
Graeme M. Day,W. D. S. Motherwell,Herman L. Ammon,Stephan X. M. Boerrigter,R. G. Della Valle,Elisabetta Venuti,A. Dzyabchenko,Jack D. Dunitz,Bernd Schweizer,B.P. van Eijck,P. Erk,Julio C. Facelli,Victor E. Bazterra,Marta B. Ferraro,D. W. M. Hofmann,Frank J. J. Leusen,C. Liang,Constantinos C. Pantelides,Panagiotis G. Karamertzanis,Sarah L. Price,Thomas C. Lewis,Harriott Nowell,A. Torrisi,Harold A. Scheraga,Yelena A. Arnautova,Martin U. Schmidt,P. Verwer +26 more
TL;DR: A third blind test of crystal structure prediction was hosted by the Cambridge Crystallographic Data Centre and highlighted the necessity for better energy models, capable of simultaneously describing conformational and packing energies with high accuracy.
Journal ArticleDOI
Crystal structure prediction of small organic molecules: a second blind test
W.D.S. Motherwell,Herman L. Ammon,Jack D. Dunitz,A. Dzyabchenko,P. Erk,Angelo Gavezzotti,D. W. M. Hofmann,Frank J. J. Leusen,Jos P. M. Lommerse,W.T.M. Mooij,Sarah L. Price,Harold A. Scheraga,Bernd Schweizer,Martin U. Schmidt,B.P. van Eijck,P. Verwer,D.E. Williams +16 more
TL;DR: A measure of the success and failure of current methodologies is given, using the methodology wherein a molecular model is used to construct theoretical crystal structures in given space groups.
Journal ArticleDOI
A Two-Dimensional Polymer from the Anthracene Dimer and Triptycene Motifs
Radha Bhola,Payam Payamyar,Daniel J. Murray,Bharat Kumar,Aaron J. Teator,Martin U. Schmidt,Sonja M. Hammer,Animesh Saha,Junji Sakamoto,A. Dieter Schlüter,Benjamin T. King +10 more
TL;DR: A two-dimensional polymer based on the dimerization of anthraceno groups arranged in a triptycene motif is reported, and solvent-induced exfoliation provides monolayer sheets of the 2DP.