Showing results (1-10 of 113) with videos related to
Sort By:
Pageof 12
Communications Chemistry|January 25, 2023
Global analysis of the energy landscapes of molecular crystal structures by applying the threshold algorithmShiyue Yang, Graeme M DayJournal of Chemical Theory and Computation|February 2, 2021
Exploration and Optimization in Crystal Structure Prediction: Combining Basin Hopping with Quasi-Random SamplingShiyue Yang, Graeme M DayJournal of Chemical Theory and Computation|June 9, 2026
Fast Molecular Crystal Structure Prediction Using Sampling by Analogy to Previously Predicted LandscapesJennie Martin, Graeme M DayPhysical Chemistry Chemical Physics : PCCP|November 5, 2016
Modelling temperature-dependent properties of polymorphic organic molecular crystalsJonas Nyman, Graeme M DayNature Communications|November 26, 2025
Exploring organic chemical space for materials discovery using crystal structure prediction-informed evolutionary optimisationJay Johal, Graeme M DayCrystal Growth & Design|May 11, 2026
Can Machine Learning Predict the Space Group Preference of Organic Molecules?Hannah Gittins, Graeme M DayJournal of the American Chemical Society|December 25, 2003
A nonempirical anisotropic atom-atom model potential for chlorobenzene crystalsGraeme M Day, Sarah L PriceAdvanced Materials (Deerfield Beach, Fla.)|December 6, 2017
Energy-Structure-Function Maps: Cartography for Materials DiscoveryGraeme M Day, Andrew I CooperCrystal 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 DayPageof 12