565 citations · 855 across the 26 of their papers we have counts for
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The hardness of quantum spin dynamics
Chae-Yeun Park, Pablo A. M. Casares, Juan Miguel Arrazola +1
Recent experiments demonstrated quantum computational advantage in random circuit sampling and Gaussian boson sampling. However, it is unclear whether these experiments can lead to…
Initial state preparation for quantum chemistry on quantum computers
Stepan Fomichev, Kasra Hejazi, Modjtaba Shokrian Zini +8
Quantum algorithms for ground-state energy estimation of chemical systems require a high-quality initial state. However, initial state preparation is commonly either neglected enti…
Grad DFT: a software library for machine learning enhanced density functional theory
Pablo A. M. Casares, Jack S. Baker, Matija Medvidovic +2
Density functional theory (DFT) stands as a cornerstone method in computational quantum chemistry and materials science due to its remarkable versatility and scalability. Yet, it s…
Quantum simulation of battery materials using ionic pseudopotentials
Modjtaba Shokrian Zini, Alain Delgado, Roberto dos Reis +4
Ionic pseudopotentials are widely used in classical simulations of materials to model the effective potential due to the nucleus and the core electrons. Modeling fewer electrons ex…
Fault-tolerant quantum algorithms
Pablo Antonio Moreno Casares
The framework of this thesis is fault-tolerant quantum algorithms. Grover's algorithm and quantum walks are described in Chapter 2. We start by highlighting the central role that r…