science1 publisher
A vibrations benchmark asks whether materials models get thermal conductivity right for the right reasons
Michele Simoncelli and colleagues at Columbia and Cambridge scored machine-learning potentials against quantum calculations on more than 100 crystals. Two models can match on energy and part ways on heat.
Publishers:phys.org
Reality
- Evidence56
- Adoption55
- Hype gap+12
- Incentives64
- Confidence58