Nobel Prize in Chemistry 2013 — Computational chemistry
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What this document is
This page summarises the scientific-background document for the 2013 Nobel Prize in Chemistry, awarded jointly to Martin Karplus, Michael Levitt and Arieh Warshel "for the development of multiscale models for complex chemical systems".
Published by the Royal Swedish Academy of Sciences, the background paper explains how the laureates’ methods brought powerful computer modelling into the heart of chemistry, complementing traditional laboratory experiments.
What it covers
The recognised work centres on simulating molecules and reactions on computers. Its key ideas include:
- combining classical Newtonian physics with quantum mechanics in a single model;
- applying detailed quantum calculations only where chemical reactions actually occur;
- treating the larger surrounding structure with more efficient classical methods;
- making it feasible to study large, biologically important molecules such as proteins.
This hybrid approach, often described as QM/MM, achieves a practical balance between accuracy and the limits of available computing power.
Why it matters
Computational modelling has become a standard tool in chemistry, biochemistry and drug design, letting researchers predict and understand reactions that would be difficult or impossible to observe directly. The 2013 prize recognised the foundations of that transformation.
Such methods also underpin work in materials and energy research — a modest link to our own renewable energy coverage. Because the prize background is widely cited, we host this neutral summary and point readers to the official Nobel materials.
Frequently asked questions
Who won the 2013 Nobel Prize in Chemistry?
Martin Karplus, Michael Levitt and Arieh Warshel shared the prize for the development of multiscale models for complex chemical systems — in effect, for taking chemistry into cyberspace using computer models.
What did their work achieve?
They developed methods that combine classical (Newtonian) physics with quantum mechanics, allowing scientists to simulate large, complex molecules and chemical reactions on computers with a practical balance of accuracy and computing power.
Why does combining two physics approaches matter?
Quantum mechanics is accurate but computationally expensive, so it can only be applied to small parts of a system. Classical physics is efficient but cannot describe reactions. Combining them lets researchers focus quantum calculations where they are needed and treat the rest classically.
Where can I read the original?
The official materials are published on the Nobel Prize website. This page is a reference summary only.