Back to activities
GERAD seminar
A Geometric Framework Beyond Euclidean Space for Molecular Optimization
Carlile Lavor – Universidade Estadual de Campinas, Brazil

Molecular geometry optimization plays a central role in computational chemistry, relying heavily on the efficient computation of interatomic distances and their derivatives. This talk presents a novel geometric framework based on a non-Euclidean model of the 3D space, designed to improve the performance of energy minimization algorithms by simplifying distance and derivative calculations.
Daniel Aloise
organizer
Location
Hybrid activity at GERAD
Zoom et salle 4488
Pavillon André-Aisenstadt
Campus de l'Université de Montréal
2920, chemin de la Tour
Montréal Québec H3T 1J4
Canada
Pavillon André-Aisenstadt
Campus de l'Université de Montréal
2920, chemin de la Tour
Montréal Québec H3T 1J4
Canada