156 citations · 229 across the 15 of their papers we have counts for
15 papers
Symmetry Dilemmas in Quantum Computing for Chemistry: A Comprehensive Analysis
Ilias Magoulas, Muhan Zhang, Francesco A. Evangelista
Symmetry adaptation, universality, and gate efficiency are central but often competing requirements in quantum algorithms for electronic structure and many-body physics. For exampl…
Spin-Adapted Fermionic Unitaries: From Lie Algebras to Compact Quantum Circuits
Ilias Magoulas, Francesco A. Evangelista
Conservation of symmetries is crucial for reliable quantum simulations of molecular systems, yet compact circuit implementations of fully symmetry-adapted fermionic unitaries have…
Clifford Transformations for Fermionic Quantum Systems: From Paulis to Majoranas to Fermions
Ilias Magoulas, Francesco A. Evangelista
Clifford gates and transformations, which map products of elementary Pauli or Majorana operators to other such products, are foundational in quantum computing, underpinning the sta…
Closed-Form Expressions for Unitaries of Spin-Adapted Fermionic Operators
Ilias Magoulas, Francesco A. Evangelista
One of the open challenges in quantum computing simulations of problems of chemical interest is the proper enforcement of spin symmetry. Efficient quantum circuits implementing uni…
Humanity's Last Exam
Long Phan, Alice Gatti, Ziwen Han +1168
Benchmarks are important tools for tracking the rapid advancements in large language model (LLM) capabilities. However, benchmarks are not keeping pace in difficulty: LLMs now achi…
Fermionic Mean-Field Theory as a Tool for Studying Spin Hamiltonians
Thomas M. Henderson, Brent Harrison, Ilias Magoulas +5
The Jordan--Wigner transformation permits one to convert spin operators into spinless fermion ones, or vice versa. In some cases, it transforms an interacting spin Hamiltonia…
Exact closed-form unitary transformations of fermionic operators
Francesco A. Evangelista, Ilias Magoulas
Unitary transformations play a fundamental role in many-body physics, and except for special cases, they are not expressible in closed form. We present closed-form expressions for…
Unitary Coupled Cluster: Seizing the Quantum Moment
Ilias Magoulas, Francesco A. Evangelista
Shallow, CNOT-efficient quantum circuits are crucial for performing accurate computational chemistry simulations on current noisy quantum hardware. Here, we explore the usefulness…
Linear-Scaling Quantum Circuits for Computational Chemistry
Ilias Magoulas, Francesco A. Evangelista
We have recently constructed compact, CNOT-efficient, quantum circuits for fermionic and qubit excitations of arbitrary many-body rank [I. Magoulas and F.A. Evangelista, J. Chem. T…
CNOT-Efficient Circuits for Arbitrary Rank Many-Body Fermionic and Qubit Excitations
Ilias Magoulas, Francesco A. Evangelista
Efficient quantum circuits are necessary for realizing quantum algorithms on noisy intermediate-scale quantum devices. Fermionic excitations entering unitary coupled-cluster (UCC)…
Addressing Strong Correlation by Approximate Coupled-Pair Methods with Active-Space and Full Treatments of Three-Body Clusters
Ilias Magoulas, Jun Shen, Piotr Piecuch
When the number of strongly correlated electrons becomes larger, the single-reference coupled-cluster (CC) CCSD, CCSDT, etc. hierarchy displays an erratic behavior, while tradition…
Controlling quantum interference between virtual and dipole two-photon optical excitation pathways using phase-shaped laser pulses
Jurick Lahiri, Stephen H. Yuwono, Ilias Magoulas +5
Two-photon excitation (TPE) proceeds via a "virtual" pathway, which depends on the accessibility of one or more intermediate states, and, in the case of non-centrosymmetric molecul…
Is Externally Corrected Coupled Cluster Always Better than the Underlying Truncated Configuration Interaction?
Ilias Magoulas, Karthik Gururangan, Piotr Piecuch +2
The short answer to the question in the title is 'no'. We identify classes of truncated configuration interaction (CI) wave functions for which the externally corrected coupled-clu…
Isoenergetic Two-Photon Excitation Enhances Solvent-to-Solute Excited-State Proton Transfer
Jurick Lahiri, Mehdi Moemeni, Jessica Kline +9
Two-photon excitation is an attractive means for controlling chemistry in both space and time. Isoenergetic one- and two-photon excitations (OPE and TPE) in non-centrosymmetric mol…
The Ground State Electronic Energy of Benzene
Janus J. Eriksen, Tyler A. Anderson, J. Emiliano Deustua +21
We report on the findings of a blind challenge devoted to determining the frozen-core, full configuration interaction (FCI) ground state energy of the benzene molecule in a standar…