AI solved the Schrödinger equation

A group of scientists from the Free University of Berlin has developed an artificial intelligence (AI) algorithm for

calculation of the ground state of the Schrödinger equation in quantum chemistry.Predict the chemical and physical properties of molecules based solely on the arrangement of their atoms in space, avoiding the need for resource-intensive and time-consuming laboratory experiments.

The team developed a deep learning method,which can achieve an unprecedented combination of precision and computational efficiency. AI has transformed many technological and scientific fields, from computer vision to materials science. “We believe that our approach can significantly affect the future of quantum chemistry,” said Professor Frank Noe, who led the team. The results are published in the journal Nature Chemistry.

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Theoretical physicist Erivn Schrödinger applied to the conceptprobability waves is the classical differential equation of the wave function. This mathematical formula can describe the wave propagation of the probability of finding a particle at a given point in space.

It is this equation that makes it possible to simply calculate the position of electrons and elementary particles. Over time, the peak of the wave shifts in space in accordance with the equation describing this wave.

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