Topic computer simulations

News computer simulations

• A New Step towards "Computational Experiments"

  An international research team has described the first calculations of Raman optical activity (ROA) spectra using coupled-cluster theory – one of the most reliable quantum chemical methods available. ROA is a valuable tool for the structural characterization of a wide range of molecules, including l more

• Researchers use genome sequences to peer into early human history

  Cornell researchers have developed new statistical methods based on the complete genome sequences of people alive today to shed light on events at the dawn of human history.They applied their methods to the genomes of individuals of East Asian, European, and western and southern African descent. The more

• Empa researchers clarify reaction pathway to fabricate graphene-like materials

  Graphene is a promising material for tomorrow’s nanoelectronics devices. Precise and upscaleable methods to fabricate graphene and derived materials with desired electronic properties are however still searched after. To overcome the current limitations, Empa researchers have fabricated graphene-lik more

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