Simulating Quantum Chemistry Hamiltonians with Fault-Tolerant Quantum Computers

Explore a technical colloquium presentation that delves into cutting-edge quantum computing algorithms for chemical simulations, focusing on the optimization of electronic structure calculations through symmetry exploitation and tensor-network Hamiltonian factorizations. Learn about practical applications through the FeMo cofactor molecule case study, which aims to revolutionize industrial nitrogen fixation by developing more energy-efficient catalysts inspired by natural processes. Discover a novel algorithm for simulating the Pauli-Breit Hamiltonian on quantum computers, incorporating relativistic effects for more accurate molecular modeling. Gain insights into BEIT's research initiatives spanning quantum error-correction, analog photonic quantum computing, and quantum-inspired optimization solutions, all presented within this comprehensive Warsaw colloquium for theoretical physics at CTP PAS.