Authors: George Rajna
Simulating molecules on quantum computers just got much easier with IBM's superconducting quantum hardware.  Quantum computers can be made to utilize effects such as quantum coherence and entanglement to accelerate machine learning.  Neural networks learn how to carry out certain tasks by analyzing large amounts of data displayed to them.  Who is the better experimentalist, a human or a robot? When it comes to exploring synthetic and crystallization conditions for inorganic gigantic molecules, actively learning machines are clearly ahead, as demonstrated by British Scientists in an experiment with polyoxometalates published in the journal Angewandte Chemie.  Machine learning algorithms are designed to improve as they encounter more data, making them a versatile technology for understanding large sets of photos such as those accessible from Google Images. Elizabeth Holm, professor of materials science and engineering at Carnegie Mellon University, is leveraging this technology to better understand the enormous number of research images accumulated in the field of materials science.  With the help of artificial intelligence, chemists from the University of Basel in Switzerland have computed the characteristics of about two million crystals made up of four chemical elements. The researchers were able to identify 90 previously unknown thermodynamically stable crystals that can be regarded as new materials. 
Comments: 26 Pages.
[v1] 2017-09-14 09:49:31
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