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Barbatti, Mario
Mario Barbatti
Mario Barbatti
(born December 28, 1971) is a Brazilian physicist,
computational theoretical chemist
, and writer. He is specialized in the development and application of
mixed quantum-classical dynamics
for the study of
molecular excited states
. He is also the leading developer of the
Newton-X
software package for dynamics simulations. Mario Barbatti held an A*Midex Chair of Excellence at the
Aix Marseille University
between 2015 and 2019, where he is a professor since 2015.
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Toluene PBE0 dataset (1000 points)
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