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Annual Review of Chemical and Biomolecular Engineering|March 26, 2021
Crystal Structure Prediction Methods for Organic Molecules: State of the ArtDavid H Bowskill, Isaac J Sugden, Stefanos Konstantinopoulos, et al.Journal of Chemical Theory and Computation|November 19, 2025
Assessing Polymorph Stability and Phase Transitions at Finite Temperature: Integrating Crystal Structure Prediction, Lattice Dynamics, and Molecular DynamicsGabriela B Correa, Stefanos Konstantinopoulos, Benjamin I Tan, et al.Journal of the American Chemical Society|January 27, 2026
When Reality Defies Prediction: Polymorphism, Twinning, and Accordion CrystalsAmy V Hall, Alice C Taylor, Natalie E Pridmore, et al.Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials|October 15, 2024
The seventh blind test of crystal structure prediction: structure generation methodsLily M Hunnisett, Jonas Nyman, Nicholas Francia, et al.Pageof 1