Physics & Quantum · Recorded milestone
Density functional theory
Recorded year1965
Kohn and Sham make quantum calculations of real molecules and crystals tractable, the workhorse of computational materials science.
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Led to
- AI-discovered materialsRecorded · 2023enables
- AI-discovered battery chemistriesRecorded · 2024enables
- Quantum chemistry advantageForecast · ~2037enables
- 2D-material transistorsForecast · ~2040requires
- AI-designed catalystsForecast · ~2040enables
- Quantum materials by designForecast · ~2042enables
- Rare-earth-free super magnetsForecast · ~2045enables
- Spintronic logic and memoryForecast · ~2055requires
- Room-temperature superconductorForecast · ~2068enables
- Molecular electronicsForecast · ~2085requires
Sources & evidence
Dataset updated 2026-10-18. This individual record has not been separately re-reviewed.