1. Connecting vibrational spectroscopy to atomic structure via supervised manifold learning: beyond peak analysis;Vizoso;Chem. Mater.,2023
2. Decoding defect statistics from diffractograms via machine learning;Kunka;npj Comput. Mater.,2021
3. Simulated vibrational density of states and x-ray diffraction profiles of mechanically deformed and disordered atomic structures in gold, iron, magnesium, and silicon;Vizoso;Mater. Data Facil.,2023
4. LAMMPS – a flexible simulation tool for particle-based materials modelling at the atomic, meso, and continuum scales;Thompson;Comp. Phys. Comm.,2022
5. Virtual diffraction analysis of Ni [010]symmetric tilt grain boundaries;Coleman;Model. Simul. Mater. Sci. Eng.,2013