Algorithmic differentiation for electronic simulations

Topical course given by Sandro Sorella

Program

• Algorithmic differentiation : the idea
• Adjoint algorithmic differentiation: how to make efficient algorithms with no effort
• Automatic differentiation: how to let the computer code your algorithm 
• Application to quantum Monte Carlo : wavefunction value and local energy differentiation
• The course will be supplemented by class exercizes of general interest  (e.g. adjoint of matrix-matrix, Choleski decomposition, diagonalization) 

Online resources

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