Towards rational catalyst design: a general optimization framework
Data(s) |
28/02/2016
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Resumo |
<p>Rational catalyst design is one of the most fundamental goals in heterogeneous catalysis. Herein, we briefly review our previous design work, and then introduce a general optimization framework, which converts catalyst design into an optimization problem. Furthermore, an example is given using the gradient ascent method to show how this framework can be used for rational catalyst design. This framework may be applied to other design schemes.</p> |
Identificador | |
Idioma(s) |
eng |
Direitos |
info:eu-repo/semantics/restrictedAccess |
Fonte |
Wang , Z & Hu , P 2016 , ' Towards rational catalyst design: a general optimization framework ' Philosophical Transactions of The Royal Society A-Mathematical Physical and Engineering Sciences , vol 374 , no. 2061 . DOI: 10.1098/rsta.2015.0078 |
Tipo |
article |