Tutorial: multidimensional dihedral PES in ORCA + visualization

Learn how to perform multidimensional dihedral potential energy surface (PES) calculations in ORCA with this tutorial. We guide you through the setup, execution, and visualization steps, helping you analyze molecular conformations more effectively

Mattia Felice Palermo Profile Picture
Researcher at CIC energiGUNE

Mattia Felice Palermo, Ph.D. in Computational Chemistry, has experience in industrial R&D with corporate and SME companies. His expertise includes molecular dynamics modeling of liquid crystals and polymers, and predicting electrochemical properties using electronic structure methods. He led the computational chemistry group at Green Energy Storage and now is a researcher at the CIC energiGUNE research center.

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