8 papers
From Heuristics to Machine Learning: The Performance Ceiling for Single-Ion Magnets and Its Electronic Origin
Federico Zahariev, Regina Pereyra, Vassiliki-Alexandra Glezakou +1
Machine learning (ML) is expected to speed up the discovery of single-ion magnets (SIMs), but does the structural information available before synthesis allow such predictions? For…
Beyond Orbital Rotations: Correlation-Rank Limits and Clifford-Accessible Measurement, from Algebra and Global Optimization
Federico Zahariev, Vanda Glezakou
Algebra and RANGE global optimization play complementary, explicitly separated roles in identifying measurement structure beyond orbital rotations. In the fixed (1,1)-particle sect…
Certified Optimal Measurement Reduction over Quantum Context Landscapes
Federico Zahariev, Vanda Glezakou
Quantum-measurement reduction contains two distinct global-optimization layers: a continuous problem of splitting an observable and allocating shots within a fixed measurement dict…
Fragmentation of Virtual Orbitals for Quantum Computing: Reducing Qubit Requirements through Many-Body Expansion
Federico Zahariev, Vassiliki-Alexandra Glezakou, Mark S. Gordon
We introduce quantum virtual-orbital fragmentation (Q-FVO), a systematic method for reducing the largest active space in correlated quantum-chemistry calculations. The complete occ…
A Verified Compiler for Quantum Simulation
Liyi Li, Fenfen An, Federico Zahariev +3
Hamiltonian simulation is a central application of quantum computing, with significant potential in modeling physical systems and solving complex optimization problems. Existing co…
Quantum Simulation Programming via Typing
Liyi Li, Federico Zahariev, Chandeepa Dissanayake +3
Quantum simulations are designed to model quantum systems, and many compilation frameworks have been developed for executing such simulations on quantum computers. Most compilers l…