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Published in 2022 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.26947
Abstract: Finding global and local minima on the potential energy surface is a key task for most studies in computational chemistry. Having a set of possible conformations for chemical structures and their corresponding energies, one can…
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Keywords:
global geometry;
tree parzen;
geometry optimization;
chemistry ... See more keywords
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Published in 2020 at "Powder Technology"
DOI: 10.1016/j.powtec.2020.07.065
Abstract: Abstract Classification of the flotation method is an important stage in the design of the flotation process. This study faces the problems of small samples and category imbalance through the following steps: (1) The XGBoost…
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Keywords:
classification;
flotation;
flotation method;
tree parzen ... See more keywords