Quantum predictions

Solving a complex problem quickly requires careful tradeoffs – and simulating the behavior of materials is no exception. To get answers that predict molecular workings feasibly, scientists must swap in mathematical approximations ...

Molecular motor: Four states of rotation

With the help of ultrafast spectroscopy and quantum mechanical calculations, Ludwig-Maximilians-Universitaet (LMU) in Munich researchers have characterized the complete rotational cycle of the light-driven, chemical motor ...

Supercomputing more light than heat

Solar cells can't stand the heat. Photovoltaics lose some energy as heat in converting sunlight to electricity. The reverse holds true for lights made with light-emitting diodes (LED), which convert electricity into light. ...

Artificial intelligence for obtaining chemical fingerprints

Researchers at the Universities of Vienna and Göttingen have succeeded in developing a method for predicting molecular infrared spectra based on artificial intelligence. These chemical "fingerprints" could only be simulated ...

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