activity
20172026
most citedA Self Consistent Field Formulation of Excited State Mean Field Theory

33 citations · 54 across the 8 of their papers we have counts for

collaborators

9 papers

quant-ph2026

Reducing entanglement with a Hamiltonian derived Clifford transformation

James Brown, Erika Lloyd, Alexandre Fleury +2

Recently (Physica Scripta, 100(10):105401, 2025), an algorithm was introduced that deterministically generates a Clifford transformation from the Qubit Coupled Cluster (QCC) algori…

quant-ph2026

Evolving Quantum Error-Correcting Encodings for Molecular Simulation

Kenny Heitritter, James Brown, Tarini Hardikar

Useful quantum algorithms require many coupled discrete design choices. We study LLM-driven evolutionary program synthesis -- a language model edits a program, an external verifier…

quant-ph2025

Efficient and Noise-Resilient Molecular Quantum Simulation with the Generalized Superfast Encoding

James Brown, Tarini S Hardikar, Kenny Heitritter +1

Simulating molecular systems on quantum computers requires efficient mappings from Fermionic operators to qubit operators. Traditional mappings such as Jordan-Wigner or Bravyi-Kita…

quant-ph2025

Quantum Reservoir Computing for Corrosion Prediction in Aerospace: A Hybrid Approach for Enhanced Material Degradation Forecasting

Akshat Tandon, James Brown, Kenny Heitritter +5

The prediction of material degradation is an important problem to solve in many industries. Environmental conditions, such as humidity and temperature, are important drivers of deg…

quant-ph2024★ 1 cited

Quantum Resources Required for Binding Affinity Calculations of Amyloid beta

Matthew Otten, Thomas W. Watts, Samuel D. Johnson +7

Amyloid beta, an intrinsically disordered protein, plays a seemingly important but not well-understood role in neurodegenerative diseases like Alzheimer's disease. A key feature of…

physics.chem-ph2023★ 11 cited

Studying excited-state-specific perturbation theory on the Thiel set

Rachel Clune, Jacqueline A. R. Shea, Tarini Hardikar +2

We explore the performance of a recently-introduced -scaling excited-state-specific second order perturbation theory (ESMP2) on the singlet excitations of the Thiel benchmarki…

physics.chem-ph2020★ 33 cited

A Self Consistent Field Formulation of Excited State Mean Field Theory

Tarini S. Hardikar, Eric Neuscamman

We show that, as in Hartree Fock theory, the orbitals for excited state mean field theory can be optimized via a self-consistent one-electron equation in which electron-electron re…

quant-ph2019★ 9 cited

Analysis of Superfast Encoding Performance for Electronic Structure Simulations

Riley W. Chien, Sha Xue, Tarini S. Hardikar +2

In our recent work, we have examined various fermion to qubit mappings in the context of quantum simulation including the original Bravyi-Kitaev Superfast encoding (OSE) as well as…

quant-ph2017

OpenFermion: The Electronic Structure Package for Quantum Computers

Jarrod R. McClean, Kevin J. Sung, Ian D. Kivlichan +32

Quantum simulation of chemistry and materials is predicted to be an important application for both near-term and fault-tolerant quantum devices. However, at present, developing and…