Admittedly, we are not the only people working on Dimethylaminobenzonitrile (DMABN) and its dual fluoresence. But it is an interesting system worth looking at. Our paper about this topic "Intramolecular Charge Transfer Excited State Processes in 4(N,NDimethylamino)benzonitrile: The Role of Twisting and the πσ* State" is finally released after starting this project about four years ago. Check it out if you are interested.
Comparing a Monte Carlo tree search and a genetic algorithm for conformational search

I've been playing around with this Monte Carlo tree search (MCTS) code (if
you need a short intro to MCTS click here). I want to learn how to use MCTS
to...
1 week ago
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