2 papers
cs.LG2026
MADE: Benchmark Environments for Closed-Loop Materials Discovery
Shreshth A Malik, Tiarnan Doherty, Panagiotis Tigas +4
Existing benchmarks for computational materials discovery primarily evaluate static predictive tasks or isolated computational sub-tasks. While valuable, these evaluations neglect…
physics.comp-ph2025
Hybrid Physics-Machine Learning Models for Quantitative Electron Diffraction Refinements
Shreshth A. Malik, Tiarnan A. S. Doherty, Benjamin Colmey +3
High-fidelity electron microscopy simulations required for quantitative crystal structure refinements face a fundamental challenge: while physical interactions are well-described t…