Mario Barbatti (@mariobarbatti) 's Twitter Profile
Mario Barbatti

@mariobarbatti

Theoretical chemist and physicist
Professor Aix Marseille Univ
Senior member @InstUnivFr
Head of the ICR #TheoChem group
orcid.org/0000-0001-9336…

ID: 1550005519

linkhttp://barbatti.org calendar_today27-06-2013 07:10:57

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Mario Barbatti (@mariobarbatti) 's Twitter Profile Photo
Mario Barbatti
@mariobarbatti

4 months ago

Analysis of nonadiabatic molecular dynamics is challenging due to its high dimensionality and complexity. We address this by introducing ULaMDyn, an open-source Python package that automates the unsupervised analysis of large dynamics datasets. #compchem doi.org/10.1039/D4DD00…