Cover Image

Identifying Crystal Structures Beyond Known Prototypes from X-ray Powder Diffraction Spectra

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Parackal, Abhijith S., Goodall, Rhys E. A., Faber, Felix A., Armiento, Rickard
Format:	Preprint
Published:	2023
Subjects:	Materials Science
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Screening 39 billion protostructures for materials discovery
by: Parackal, Abhijith S, et al.
Published: (2026)

Symmetry-restricted energy landscapes as a benchmark for machine learned interatomic potentials
by: Parackal, Abhijith S, et al.
Published: (2026)

Evaluating and improving the predictive accuracy of mixing enthalpies and volumes in disordered alloys from universal pre-trained machine learning potentials
by: Casillas-Trujillo, Luis, et al.
Published: (2024)

Na in Diamond: High Spin Defects Revealed by the ADAQ High-Throughput Computational Database
by: Davidsson, Joel, et al.
Published: (2023)

WyckoffDiff -- A Generative Diffusion Model for Crystal Symmetry
by: Kelvinius, Filip Ekström, et al.
Published: (2025)

Experimental Powder X-ray Diffraction Crystal Structure Determination with RealPXRD-Solver
by: Li, Qi, et al.
Published: (2026)

Ab-initio Crystal Structure Determination from Powder X-Ray Diffraction
by: Su, Kaixiang, et al.
Published: (2026)

Powder X-Ray Diffraction Assisted Evolutionary Algorithm for Crystal Structure Prediction
by: Racioppi, Stefano, et al.
Published: (2024)

High-Throughput Exploration of NV-like Color Centers Across Host Materials
by: Groppfeldt, Oscar, et al.
Published: (2025)

AlphaDiffract: Automated Crystallographic Analysis of Powder X-ray Diffraction Data
by: Andrejevic, Nina, et al.
Published: (2026)

Powder Diffraction Crystal Structure Determination Using Generative Models
by: Li, Qi, et al.
Published: (2024)

Predicting the Curie temperature in substitutionally disordered alloys using a first-principles based model
by: Brännvall, Marian Arale, et al.
Published: (2024)

The Chlorine Vacancy in 4H-SiC: An NV-like Defect With Telecom Emission
by: Bulancea-Lindvall, Oscar, et al.
Published: (2023)

opXRD: Open Experimental Powder X-ray Diffraction Database
by: Hollarek, Daniel, et al.
Published: (2025)

ADAQ-SYM: Automated Symmetry Analysis of Defect Orbitals
by: Stenlund, William, et al.
Published: (2023)

A Powder Diffraction-AI Solution for Crystalline Structure
by: Wu, Di, et al.
Published: (2024)

Effect of Niobium Doping on the Crystal Structure and Hydrogen Sorption Properties of TiFe: Combined Synchrotron X-ray Diffraction and Extended X-ray Absorption Fine Structure Study
by: Banerjee, Abhishek, et al.
Published: (2026)

Theoretical characterization of NV-like defects in 4H-SiC using ADAQ with the SCAN and r2SCAN meta-GGA functionals
by: Abbas, Ghulam, et al.
Published: (2025)

AI-Driven Structure Refinement of X-ray Diffraction
by: Cao, Bin, et al.
Published: (2026)

High-Throughput Quantification of Altermagnetic Band Splitting
by: Sufyan, Ali, et al.
Published: (2025)

Predicting the Curie temperature of magnetic materials with automated calculations across chemistries and structures
by: Brännvall, Marian Arale, et al.
Published: (2024)

DiffractGPT: Atomic Structure Determination from X-ray Diffraction Patterns using Generative Pre-trained Transformer
by: Choudhary, Kamal
Published: (2025)

The Loss Landscape of Powder X-Ray Diffraction-Based Structure Optimization Is Too Rough for Gradient Descent
by: Segal, Nofit, et al.
Published: (2025)

Beyond Structure: Invariant Crystal Property Prediction with Pseudo-Particle Ray Diffraction
by: Cao, Bin, et al.
Published: (2025)

Machine Learning-Driven Crystal System Prediction for Perovskites Using Augmented X-ray Diffraction Data
by: Mathew, Ansu, et al.
Published: (2026)

SimXRD-4M: Big Simulated X-ray Diffraction Data Accelerate the Crystal Symmetry Classification
by: Cao, Bin, et al.
Published: (2024)

Unveiling Nano-scale Crystal Deformation using Coherent X-ray Dynamical Diffraction
by: Wu, Longlong, et al.
Published: (2025)

Temperature dependence of the AB-lines and Optical Properties of the Carbon-Antisite Vacancy Pair in 4H-SiC
by: Bulancea-Lindvall, Oscar, et al.
Published: (2024)

End‐to‐End Crystal Structure Prediction from Powder X‐Ray Diffraction
by: Qingsi Lai, et al.
Published: (2025)

Random Forest Prediction of Crystal Structure from Electron Diffraction Patterns Incorporating Multiple Scattering
by: Gleason, Samuel P., et al.
Published: (2024)

Demonstration of Advanced Timing Schemes in Time-Resolved X-ray Diffraction Measurements
by: Schmidt, Daniel, et al.
Published: (2025)

Laboratory Three-dimensional X-ray Micro-beam Laue Diffraction
by: Zhang, Yubin, et al.
Published: (2025)

Possibilities of the X-ray Diffraction Data Processing Method for Detecting Reflections with Intensity Below the Background Noise Component
by: Gabielkov, S. V., et al.
Published: (2025)

Bridging Grain Mapping and Dark Field X-ray Microscopy for Multiscale Diffraction Imaging
by: Shukla, Aditya, et al.
Published: (2025)

Deconvoluting Thermomechanical Effects in X-ray Diffraction Data using Machine Learning
by: Lim, Rachel E., et al.
Published: (2024)

Pushing the Pareto front of band gap and permittivity: ML-guided search for dielectric materials
by: Riebesell, Janosh, et al.
Published: (2024)

Spatiotemporal Mapping of Anisotropic Thermal Transport in GaN Thin Films via Ultrafast X-ray Diffraction
by: Nguyen, Thanh, et al.
Published: (2025)

Magnetic Pair Distribution Function and Half Polarized Neutron Powder Diffraction at the HB-2A Powder Diffractometer
by: Baral, Raju, et al.
Published: (2025)

Characterization of Crystalline Hornblende Gneiss by X-Ray Diffraction Technique
by: Yagob, Arafa A.
Published: (2023)

On recovering intragranular strain fields from grain-averaged strains obtained by high-energy X-ray diffraction microscopy
by: Cocke, C. K., et al.
Published: (2025)