From crystal structure prediction to polymorph prediction: interpreting the crystal energy landscape. | Semantic Scholar
High thermoelectric performance in metal phosphides MP2 (M = Co, Rh and Ir): a theoretical prediction from first-principles calculations - RSC Advances (RSC Publishing)
PDF) A crystal structure prediction enigma solved: The gallic acid monohydrate system – surprises at 10 K.
What is Crystal Structure Prediction? And why is it so difficult? - CCDC
Structure-Based Synthesizability Prediction of Crystals Using Partially Supervised Learning | Journal of the American Chemical Society
Crystal structure prediction with machine learning-based element substitution - ScienceDirect
Highly accurate machine learning prediction of crystal point groups for ternary materials from chemical formula | Scientific Reports
Crystal structure prediction with machine learning-based element substitution - ScienceDirect
Efficient Crystal Structure Prediction for Structurally Related Molecules with Accurate and Transferable Tailor-Made Force Fields | Journal of Chemical Theory and Computation
Molecular Crystal Structure Prediction - ScienceDirect
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)
What is Crystal Structure Prediction? And why is it so difficult? - CCDC
Recent trends on density functional theory–assisted calculations of structures and properties of metal–organic frameworks and metal–organic frameworks-derived nanocarbons | Journal of Materials Research | Cambridge Core
Crystal structure prediction – Tuckerman Research Group
Reliable crystal structure predictions from first principles | Nature Communications
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
Mlatticeabc: Generic Lattice Constant Prediction of Crystal Materials Using Machine Learning | ACS Omega
Frontiers | Crystal Structure Prediction of Binary Alloys via Deep Potential
PDF) Crystal Structure Prediction and Its Application in Earth and Materials Sciences
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
Reliable and practical computational description of molecular crystal polymorphs | Science Advances
