Extended Software Development Workshop: Quantum Mechanics and Electronic Structure
CECAM-FR-MOSER, Maison de la Simulation, Saclay, France
The goal of this workshop is to develop 4-6 software modules for the E-CAM repository in the area of quantum dynamics.
Participants will be assigned projects before the start of the workshop. This will enable them to familiarise with the theory behind the sofware that they will develop. The assignment will be made based both on the software developement needs identified in the E-CAM project and taking into account the interests and experience of the participants. Participants will also be provided with an overview of the software tools to be used (provided by e-CAM).
4 main topics will be considered for development, details for each project can be found in the Files area of this website
1. Integrators for Grid-Based Solutions to the Time-Dependent Schrödinger Equation
2. Sampling quantum initial conditions for canonical quantum correlation functions
3. Benchmarks for open quantum systems
4. Nonadiabatic dynamics with the exact factorization
Daniel BORGIS (CNRS) - Organiser
Sara Bonella (CECAM HQ) - Organiser