Abhijith S Parackal
Forskningsingenjör
Publikationer
2026
Symmetry-Restricted Energy Landscapes as a Benchmark for Machine Learned Interatomic Potentials
Advanced Theory and Simulations, Vol. 9, Artikel e70506
(Artikel i tidskrift)
https://dx.doi.org/10.1002/adts.70506
Crystal Symmetry and Machine Learning for Systematic Materials Discovery
(Doktorsavhandling, sammanläggning)
https://dx.doi.org/10.3384/9789181184761
2025
WyckoffDiff- A Generative Diffusion Model for Crystal Symmetry
Proceedings of the 42nd International Conference on Machine Learning, s. 15130-15147
(Konferensbidrag)
2024
Evaluating and improving the predictive accuracy of mixing enthalpies and volumes in disordered alloys from universal pretrained machine learning potentials
Physical Review Materials, Vol. 8, Artikel 113803
(Artikel i tidskrift)
https://dx.doi.org/10.1103/PhysRevMaterials.8.113803
Identifying crystal structures beyond known prototypes from x-ray powder diffraction spectra
Physical Review Materials, Vol. 8, Artikel 103801
(Artikel i tidskrift)
https://dx.doi.org/10.1103/PhysRevMaterials.8.103801