The field of computational catalysis has existed in one form or another for at least 30 years. Its ultimate goal - the design of a novel catalyst entirely from the computer. While this goal has not been reached yet, the 21st Century has already seen key advances in capturing the…
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The book provides a comprehensive treatment of combinatorial development of heterogeneous catalysts. In particular, two computer-aided approaches that have played a key role in combinatorial catalysis and high-throughput experimentation during the last decade - evolutionary opti…
