Molecular Crystal Structure Prediction - ScienceDirect
What is Crystal Structure Prediction? And why is it so difficult? - CCDC
Crystal structure prediction with machine learning-based element substitution - ScienceDirect
What is Crystal Structure Prediction? And why is it so difficult? - CCDC
Research - Crystallography and Crystal Chemistry Laboratory
Prediction and Calculation of Crystal Structures: Methods and Applications | SpringerLink
Structure-Based Synthesizability Prediction of Crystals Using Partially Supervised Learning | Journal of the American Chemical Society
Crystal structure prediction in a continuous representative space - ScienceDirect
Crystals | Free Full-Text | First Principles Density Functional Theory Prediction of the Crystal Structure and the Elastic Properties of Mo2ZrB2 and Mo2HfB2
Crystal structure prediction – Tuckerman Research Group
The XtalOpt Evolutionary Algorithm for Crystal Structure Prediction | The Journal of Physical Chemistry C
Crystals | Free Full-Text | Predicting the Crystal Structure and Lattice Parameters of the Perovskite Materials via Different Machine Learning Models Based on Basic Atom Properties
Connecting theory and experiment
Crystal structure prediction – Tuckerman Research Group
Crystal structure prediction – Tuckerman Research Group
Crystal structure prediction with machine learning-based element substitution - ScienceDirect
A complete description of thermodynamic stabilities of molecular crystals | PNAS
Crystals | Free Full-Text | Predicting the Crystal Structure and Lattice Parameters of the Perovskite Materials via Different Machine Learning Models Based on Basic Atom Properties
Organic crystal structure prediction and its application to materials design | SpringerLink
Validation of dispersion-corrected density functional theory calculations for the crystal structure prediction of molecular salts: a crystal structure prediction study of pyridinium chloride - CrystEngComm (RSC Publishing)
Reliable crystal structure predictions from first principles | Nature Communications
PDF) Crystal Structure Prediction and Its Application in Earth and Materials Sciences
Machine-Learned Fragment-Based Energies for Crystal Structure Prediction | Journal of Chemical Theory and Computation
Crystal structure prediction by combining graph network and optimization algorithm | Nature Communications
Reliable and practical computational description of molecular crystal polymorphs | Science Advances
Robust recognition and exploratory analysis of crystal structures via Bayesian deep learning | Nature Communications
