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Crystal Growth & Design|February 16, 2018
Evaluating the Energetic Driving Force for Cocrystal FormationChristopher R Taylor, Graeme M DayChemical Science|January 28, 2026
From crystal structure prediction to polymorphic behaviour: Monte Carlo threshold mapping of crystal energy landscapesPedro Juan-Royo, Graeme M DayJournal of Chemical Theory and Computation|June 23, 2026
Accelerating Prediction of Complex Molecular Crystals by Sensible Selection of Asymmetric UnitsJordan A Dorrell, Graeme M DayInternational Journal of Pharmaceutics|April 19, 2011
Successful prediction of a model pharmaceutical in the fifth blind test of crystal structure predictionAndrei V Kazantsev, Panagiotis G Karamertzanis, Claire S Adjiman, et al.Crystal Growth & Design|November 10, 2025
An Adapted Similarity Kernel and Generalized Convex Hull for Molecular Crystal Structure PredictionJennie Martin, Michele Ceriotti, Graeme M DayProceedings of the National Academy of Sciences of the United States of America|May 30, 2023
Reducing overprediction of molecular crystal structures via threshold clusteringPatrick W V Butler, Graeme M DayCrystal Growth & Design|February 9, 2026
Crystal Structure Prediction for Aprotic Ionic Liquids - Searching for the UnknownPetr Touš, Graeme M Day, Ctirad ČervinkaPhysical Chemistry Chemical Physics : PCCP|August 9, 2008
From crystal structure prediction to polymorph prediction: interpreting the crystal energy landscapeSarah L PriceAdvanced Drug Delivery Reviews|February 14, 2004
The computational prediction of pharmaceutical crystal structures and polymorphismSarah L PriceChemical Society Reviews|November 23, 2013
Predicting crystal structures of organic compoundsSarah L PricePageof 17