12 papers
Lie-Algebraic Classical Simulation of Bosonic Systems Beyond Gaussian Dynamics
Adelina Bärligea, Timothy Heightman, Jakob S. Kottmann +1
Classical simulability is ultimately determined by both the dynamics of a quantum system and the observables being evaluated. Lie-algebraic simulation exploits the latter to make e…
Shallow Quantum Circuits for Deep Chemistry via Valence Bond Embeddings
Francisco Javier del Arco Santos, Jakob S. Kottmann
Quantum chemistry is one of the major potential applications in quantum computation. Currently there is a considerable focus on relatively small active spaces as a consequence of h…
Consistent Initial States with Constant Circuit Depth for Quantum Computational Chemistry
Lily Barta, Jakob S. Kottmann
Variational quantum eigensolvers have been extensively studied, yet there are still no methods that offer black-box applicability with consistent performance. Separable pair approx…
Enabling Lie-Algebraic Classical Simulation beyond Free Fermions
Adelina Bärligea, Matthew L. Sims-Goh, Jakob S. Kottmann
Efficient classical simulation has matured to a critical component of the quantum computing stack, driving hardware validation, algorithm design, benchmarking, and the study of str…
Unitaria: Quantum Linear Algebra via Block Encodings
Matthias Deiml, Oliver Hüttenhofer, Ram Mosco +2
We introduce Unitaria, a Python library that brings the simplicity of classical linear algebra toolkits such as NumPy and SciPy to the implementation of quantum algorithms based on…
A Transferable Machine Learning Approach to Predict Optimized Orbitals for Electronic Structure Problems
Lucas van der Horst, Maniraman Periyasamy, Abhishek Y. Dubey +3
Variational quantum eigensolver ansätze hold considerable promise for ground-state energy calculations on near-term quantum hardware, yet most promising ansatz designs currently s…