Research - Crystallography and Crystal Chemistry Laboratory
Structure-Based Synthesizability Prediction of Crystals Using Partially Supervised Learning | Journal of the American Chemical Society
Crystal structure prediction – Tuckerman Research Group
PDF) A crystal structure prediction enigma solved: The gallic acid monohydrate system – surprises at 10 K.
Prediction and Calculation of Crystal Structures: Methods and Applications | SpringerLink
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
Frontiers | Crystal Structure Prediction of Binary Alloys via Deep Potential
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
Crystal structure prediction with machine learning-based element substitution - ScienceDirect
Crystal structure prediction with machine learning-based element substitution - ScienceDirect
Connecting theory and experiment
De Novo Determination of the Crystal Structure of a Large Drug Molecule by Crystal Structure Prediction-Based Powder NMR Crystallography | Journal of the American Chemical Society
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
A complete description of thermodynamic stabilities of molecular crystals | PNAS
What is Crystal Structure Prediction? And why is it so difficult? - CCDC
Mlatticeabc: Generic Lattice Constant Prediction of Crystal Materials Using Machine Learning | ACS Omega
High thermoelectric performance in metal phosphides MP2 (M = Co, Rh and Ir): a theoretical prediction from first-principles calculations - RSC Advances (RSC Publishing)
Crystal structure prediction – Tuckerman Research Group
Highly accurate machine learning prediction of crystal point groups for ternary materials from chemical formula | Scientific Reports
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)
Perspective: Crystal structure prediction at high pressures: The Journal of Chemical Physics: Vol 140, No 4
