46 citations · 63 across the 9 of their papers we have counts for
10 papers
Scaling Local Solvers with the Many-Body Expansion
Federico Zahariev, Amr Sabry
We introduce a Many-Body Expansion framework for scaling black-box solvers for discrete optimization. The method decomposes a large problem into fragments, repeatedly improves each…
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
One should not assume that reconstructing an electronic observable with a smaller set of measurement settings will cut the number of repetitions in proportion. Each setting is simp…
Certified Bounds on the Measurement Cost of Molecular Hamiltonians
Federico Zahariev, Vanda Glezakou
Quantum estimates of molecular energy require repeated state preparation and measurement. We bound the minimum repetition count for given measurements and processing rules from abo…
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…
Nodal Variational Principle for Excited States
Federico Zahariev, Mark S. Gordon, Mel Levy
It is proven that the exact excited-state wave function and energy may be obtained by minimizing the energy expectation value of trial wave functions that are constrained only to h…
Ground-State Energy as a Simple Sum of Orbital Energies in Kohn-Sham Theory: A Shift in Perspective through a Shift in Potential
Mel Levy, Federico Zahariev
It is observed that the exact interacting ground-state electronic energy of interest may be obtained directly, in principle, as a simple sum of orbital energies when a universal de…
On Augmented Kohn-Sham Potential for Energy as a Simple Sum of Orbital Energies
Mel Levy, Federico Zahariev
It has recently been observed [Phys. Rev. Lett. 113, 113002 (2014)] that the ground-state energy may be obtained directly as a simple sum of augmented Kohn-Sham orbital energies, w…