Software from the Quantum Theory Project

Software created and maintained by QTP faculty members

• ACES III and ACES II Advanced Concepts in Electronic Structure from the group of Rod Bartlett.
• iGator Electronic Nuclear Dynamics propagation from the group of Hai-Ping Cheng.
• ENDyne Electronic Nuclear Dynamics propagation from the group of Erik Deumens and Yngve Öhrn.

Software to which QTP faculty members are crucial contributors

• AMBER Molecular Dynamics propagation is being developed with participation from the groups of Kennie Merz and Adrian Roitberg.
• PUPIL Program for User Package Interfacing and Linking was created at QTP and is furthe rbeing devleoped with participation from the groups of Kennie Merz, Adrian Roitberg, Sam Trickey and Erik Deumens.

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