D
D. W. M. Hofmann
Researcher at Goethe University Frankfurt
Publications - 43
Citations - 3040
D. W. M. Hofmann is an academic researcher from Goethe University Frankfurt. The author has contributed to research in topics: Crystal structure prediction & Crystal structure. The author has an hindex of 18, co-authored 42 publications receiving 2780 citations. Previous affiliations of D. W. M. Hofmann include Polaris Industries & Congressional Research Service.
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Journal ArticleDOI
Report on the sixth blind test of organic crystal-structure prediction methods
Anthony M. Reilly,Richard I. Cooper,Claire S. Adjiman,Saswata Bhattacharya,A. Daniel Boese,Jan Gerit Brandenburg,Peter J. Bygrave,Rita Bylsma,J.E. Campbell,Roberto Car,David H. Case,Renu Chadha,Jason C. Cole,Katherine Cosburn,Katherine Cosburn,Herma M. Cuppen,Farren Curtis,Farren Curtis,Graeme M. Day,Robert A. DiStasio,Robert A. DiStasio,Alexander Dzyabchenko,Bouke P. van Eijck,Dennis M. Elking,Joost A. van den Ende,Julio C. Facelli,Marta B. Ferraro,Laszlo Fusti-Molnar,Christina-Anna Gatsiou,Thomas S. Gee,René de Gelder,Luca M. Ghiringhelli,Hitoshi Goto,Stefan Grimme,Rui Guo,D. W. M. Hofmann,Johannes Hoja,Rebecca K. Hylton,Luca Iuzzolino,Wojciech Jankiewicz,Daniël T. de Jong,John Kendrick,Niek J. J. de Klerk,Hsin-Yu Ko,L. N. Kuleshova,Xiayue Li,Xiayue Li,Sanjaya Lohani,Frank J. J. Leusen,Albert M. Lund,Albert M. Lund,Jian Lv,Yanming Ma,Noa Marom,Noa Marom,Artëm E. Masunov,Patrick McCabe,David P. McMahon,Hugo Meekes,Michael P. Metz,Alston J. Misquitta,Sharmarke Mohamed,Bartomeu Monserrat,Richard J. Needs,Marcus A. Neumann,Jonas Nyman,Shigeaki Obata,Harald Oberhofer,Artem R. Oganov,Anita M. Orendt,Gabriel Ignacio Pagola,Constantinos C. Pantelides,Chris J. Pickard,Chris J. Pickard,Rafał Podeszwa,Louise S. Price,Sarah L. Price,Angeles Pulido,Murray G. Read,Karsten Reuter,Elia Schneider,Christoph Schober,Gregory P. Shields,Pawanpreet Singh,Isaac J. Sugden,Krzysztof Szalewicz,Christopher R. Taylor,Alexandre Tkatchenko,Alexandre Tkatchenko,Mark E. Tuckerman,Mark E. Tuckerman,Mark E. Tuckerman,Francesca Vacarro,Francesca Vacarro,Manolis Vasileiadis,Álvaro Vázquez-Mayagoitia,Leslie Vogt,Yanchao Wang,Rona E. Watson,Gilles A. de Wijs,Jack Yang,Qiang Zhu,Colin R. Groom +102 more
TL;DR: The results of the sixth blind test of organic crystal structure prediction methods are presented and discussed, highlighting progress for salts, hydrates and bulky flexible molecules, as well as on-going challenges.
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
Towards crystal structure prediction of complex organic compounds--a report on the fifth blind test.
David A. Bardwell,Claire S. Adjiman,Yelena A. Arnautova,Ekaterina V. Bartashevich,Stephan X. M. Boerrigter,Doris E. Braun,Aurora J. Cruz-Cabeza,Aurora J. Cruz-Cabeza,Graeme M. Day,Raffaele Guido Della Valle,Gautam R. Desiraju,Bouke P. van Eijck,Julio C. Facelli,Marta B. Ferraro,Damián A. Grillo,Matthew Habgood,D. W. M. Hofmann,Fridolin Hofmann,K. V. Jovan Jose,Panagiotis G. Karamertzanis,Andrei V. Kazantsev,John Kendrick,L. N. Kuleshova,Frank J. J. Leusen,Andrey V. Maleev,Alston J. Misquitta,Sharmarke Mohamed,Richard J. Needs,Marcus A. Neumann,Denis Nikylov,Anita M. Orendt,Rumpa Pal,Constantinos C. Pantelides,Chris J. Pickard,Louise S. Price,Sarah L. Price,Harold A. Scheraga,Jacco van de Streek,Tejender S. Thakur,Siddharth Tiwari,Elisabetta Venuti,Ilia K. Zhitkov +41 more
TL;DR: The results of the fifth blind test of crystal structure prediction, which show important success with more challenging large and flexible molecules, are presented and discussed.