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A Feasible Approach for Automatically Differentiable Unitary Coupled-Cluster on Quantum Computers
Jakob S. Kottmann, Abhinav Anand, Alán Aspuru-Guzik
We develop computationally affordable and encoding independent gradient evaluation procedures for unitary coupled-cluster type operators, applicable on quantum computers. We show t…
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…
The Meta-Variational Quantum Eigensolver (Meta-VQE): Learning energy profiles of parameterized Hamiltonians for quantum simulation
Alba Cervera-Lierta, Jakob S. Kottmann, Alán Aspuru-Guzik
We present the meta-VQE, an algorithm capable to learn the ground state energy profile of a parametrized Hamiltonian. By training the meta-VQE with a few data points, it delivers a…
Mutual information-assisted Adaptive Variational Quantum Eigensolver
Zi-Jian Zhang, Thi Ha Kyaw, Jakob S. Kottmann +2
Adaptive construction of ansatz circuits offers a promising route towards applicable variational quantum eigensolvers on near-term quantum hardware. Those algorithms aim to build u…
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…
Quantum Computer-Aided design of Quantum Optics Hardware
Jakob S. Kottmann, Mario Krenn, Thi Ha Kyaw +2
The parameters of a quantum system grow exponentially with the number of involved quantum particles. Hence, the associated memory requirement goes well beyond the limit of best cla…
Quantum Computation of Eigenvalues within Target Intervals
Phillip W. K. Jensen, Lasse Bjørn Kristensen, Jakob S. Kottmann +1
There is widespread interest in calculating the energy spectrum of a Hamiltonian, for example to analyze optical spectra and energy deposition by ions in materials. In this study,…
Conceptual understanding through efficient inverse-design of quantum optical experiments
Mario Krenn, Jakob Kottmann, Nora Tischler +1
One crucial question within artificial intelligence research is how this technology can be used to discover new scientific concepts and ideas. We present Theseus, an explainable AI…