Blar i Department of Chemistry på forfatter "Nedrelid, Kjell"
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Design of iron(ii) spin-crossover compounds using de novo artificial evolution with fitness-function based on DommiMOE's implementation of LFMM
Nedrelid, Kjell (Master thesis, 2015-06-01)This is a software development adding DommiMOE as a fitness-provider to the de novo artificial intelligence internally called Denoptim. The software supports stochastic conformational search, molecular dynamics, geometry ...