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Browsing Tag

Computational chemistry

4 posts
PPhysics
The Schrödinger equation turns 100
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The Schrödinger equation turns 100

  • February 26, 2026
Key Insights One hundred years ago, the physicist Erwin Schrödinger came up with an equation that rewrote the…
PPhysics
Chemical tuning of quantum spin–electric coupling in molecular magnets
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Chemical tuning of quantum spin–electric coupling in molecular magnets

  • August 28, 2025
The Mn(Me6tren)X compounds The crystallographic structure of Cl derivative 1 is the same as that reported for its…
CComputing
Quantum computing meets AI to fight cancer
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Quantum computing meets AI to fight cancer

  • August 18, 2025
  Drug discovery is notoriously slow; finding a single hit can mean screening a million compounds. For stubborn…
HHealthcare
Digital twins and Big AI: the future of truly individualised healthcare
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Digital twins and Big AI: the future of truly individualised healthcare

  • August 3, 2025
Foundational Research Gaps and Future Directions for Digital Twins | National Academies. https://www.nationalacademies.org/our-work/foundational-research-gaps-and-future-directions-for-digital-twins. Coveney, P. V. & Highfield…
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