Detlef W. M. Hofmann

Center for Advanced Studies Research and Development in Sardinia — Italy

Materials Science · Physical Sciences

17h-index3.0kcitations50works65.02yr avg
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Research Topics

X-ray Diffraction in Crystallography(17), Crystallography and molecular interactions(15), Crystallization and Solubility Studies(12), Computational Drug Discovery Methods(11), Machine Learning in Materials Science(7)

Publications50 total

The seventh blind test of crystal structure prediction: structure generation methods
Acta Crystallographica Section B Structural Science Crystal Engineering and Materials·2024· 65 citedOpen Access
A general force field by machine learning on experimental crystal structures. Calculations of intermolecular Gibbs energy with<i>FlexCryst</i>
Acta Crystallographica Section A Foundations and Advances·2023· 4 cited
Data mining. I. Machine learning in crystallography
International Tables for Crystallography·2022
Derivation of a universal force field for organic and organometallics by data mining on all known crystal structures, its validation and some applications
2021
Derivation of a universal force field for organic and organometallics by data mining on all known crystal structures, its validation and some applications
2021
CCDC 1970222: Experimental Crystal Structure Determination
The Cambridge Structural Database·2020Open Access
Effect of fluorination on the crystal and electronic structure of organometallic cyclopentadienyl-phenylenediamino-cobalt complexes
Journal of Organometallic Chemistry·2020· 7 citedOpen Access
Phase-diagram prediction by data mining <i>via</i> temperature-dependent force fields
Acta Crystallographica Section A Foundations and Advances·2018Open Access
Controlled usage of H/D exchange to circumvent concomitant polymorphs of ROY
IUCrJ·2018· 8 citedOpen Access
Geometry-based across wafer process control in a dual damascene scenario
2018· 1 cited
In-depth analysis and characterization of a dual damascene process with respect to different CD
2018· 1 cited
Faser-basierter magneto-optischer Schicht-Sensor zum Monitoring von Bauteilen
2018
Die durchleuchtete Brücke
2018
Deuterium Shifts the Equilibrium: How Heavy Water Can Influence Organic Multicomponent Crystal Formation
Crystal Growth & Design·2017· 6 cited
In-depth analysis of indirect overlay method and applying in production environment
Proceedings of SPIE, the International Society for Optical Engineering/Proceedings of SPIE·2017· 1 cited
CCDC 1457109: Experimental Crystal Structure Determination
The Cambridge Structural Database·2017Open Access
CCDC 1457110: Experimental Crystal Structure Determination
The Cambridge Structural Database·2017Open Access
Report on the sixth blind test of organic crystal structure prediction methods
Acta Crystallographica Section B Structural Science Crystal Engineering and Materials·2016· 594 citedOpen Access
Sixth CCDC Blind Test: Calculated Crystal Structures
The Cambridge Structural Database·2016Open Access
Sixth CCDC Blind Test: Calculated Crystal Structures
The Cambridge Structural Database·2016Open Access
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Frequent Co-authors

L. N. Kuleshova(17), Bouke P. van Eijck(6), Martin U. Schmidt(6), Frank J. J. Leusen(5), Sarah L. Price(5), Graeme M. Day(4), Marcus A. Neumann(4), B. D’Aguanno(4), Klaus Merz(4), Claire S. Adjiman(3), Julio C. Facelli(3), Marta B. Ferraro(3), John Kendrick(3), Alston J. Misquitta(3), Sharmarke Mohamed(3), Constantinos C. Pantelides(3), Chris J. Pickard(3), Herman L. Ammon(3), Harold A. Scheraga(3), W. Bernd Schweizer(3)