A team of scientists at the Freie Universität in Berlin has developed an artificial intelligence (AI) method for calculating the ground state of the Schrödinger equation. The goal was to predict 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. In principle, this can be achieved by solving the Schrödinger equation, but in practice this is extremely difficult.
Up until now, it has been impossible to find an exact solution for arbitrary molecules that can be efficiently computed. But the team at the Freie Universität Berlin has developed an AI deep learning method that can achieve an unprecedented combination of accuracy and computational efficiency.
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Via Dr. Stefan Gruenwald