EiG First-Principles Elastic Modulus Validation Document for Independent AI Review
Abstract
Validation document for first-principles elastic modulus predictions using the EiG framework. A single base constant E_0 = 306.5 GPa, derived from Rydberg energy and Bohr radius, predicts elastic modulus for 30 transition metal compounds (carbides, nitrides, borides, oxides, silicides) with 0.58% mean absolute error. All correction factors are simple fractions from a 3-4-5 Pythagorean triangle. Includes step-by-step verification examples and Python code for independent verification
Fields of Study & Subjects
Machine Learning in Materials Science
Advanced Chemical Physics Studies
Boron and Carbon Nanomaterials Research
Publication details
- Journal / source
- Zenodo (CERN European Organization for Nuclear Research)
- Publication date
- 19 January 2026