90 citations · 216 across the 4 of their papers we have counts for
4 papers
Differentiable quantum computational chemistry with PennyLane
Juan Miguel Arrazola, Soran Jahangiri, Alain Delgado +15
This work describes the theoretical foundation for all quantum chemistry functionality in PennyLane, a quantum computing software library specializing in quantum differentiable pro…
Tequila: A platform for rapid development of quantum algorithms
Jakob S. Kottmann, Sumner Alperin-Lea, Teresa Tamayo-Mendoza +15
Variational quantum algorithms are currently the most promising class of algorithms for deployment on near-term quantum computers. In contrast to classical algorithms, there are al…
Reducing qubit requirements while maintaining numerical precision for the Variational Quantum Eigensolver: A Basis-Set-Free Approach
Jakob S. Kottmann, Philipp Schleich, Teresa Tamayo-Mendoza +1
We present a basis-set-free approach to the variational quantum eigensolver using an adaptive representation of the spatial part of molecular wavefunctions. Our approach directly d…
Automatic differentiation in quantum chemistry with an application to fully variational Hartree-Fock
Teresa Tamayo-Mendoza, Christoph Kreisbeck, Roland Lindh +1
Automatic Differentiation (AD) is a powerful tool that allows calculating derivatives of implemented algorithms with respect to all of their parameters up to machine precision, wit…