Advancing the science of quantum computing.

Reducing entanglement with a Hamiltonian derived Clifford transformation

J. Brown, E. Lloyd, A. Fleury, T. S. Hardikar, K. Heitritter

Refines the Q-Cliff (QCC + Clifford) algorithm into an efficient variational method for chemical ground states, with accuracy between MP2 and CISD at O(N^6). DMRG results show significantly reduced inter-qubit entanglement (up to an order-of-magnitude accuracy gain per bond dimension) and low-depth, CNOT-efficient circuits.

Evolving Quantum Error-Correcting Encodings for Molecular Simulation

K. Heitritter, J. Brown, T. Hardikar

Uses LLM-driven evolutionary program synthesis to discover fermion-to-qubit encodings. Applied to the Generalized Superfast Encoding (GSE), the search finds interpretable constructors reaching exact code distance 5 (and 6 on a 20-mode instance) — the first GSE/superfast encodings beyond distance 3 for dense molecular Hamiltonians.

Mid-Circuit Measurements for Clifford Noise Reduction in Hamiltonian Simulations

J. Brown, J. Iaconis, Y. Alexeev, L. Joseph, S. Churchill, K. Heitritter, W. Aguilar-Calvo, M. Roetteler, M. Suchara

A device-matched noise-reduction framework for encoded Hamiltonian simulation combining GSE Trotter synthesis, Clifford Noise Reduction, and mid-circuit stabilizer verification. On a Barium development system, encoded CliNR achieves up to 54% lower logical error rate — an advantage that vanishes when stabilizer readout is deferred to the end.

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

J. Brown, T. S. Hardikar, K. Heitritter, K. Setia

Constructs compact, noise-resilient fermion-to-qubit mappings for general molecular Hamiltonians on top of the Generalized Superfast Encoding, with path optimization, multi-edge error detection, and a stabilizer measurement framework. Demonstrates improved energy estimates for (H2)2 and (H2)3 under realistic noise, including a 2x RMSE reduction on IBM Kingston hardware.

Quantum Resources Required for Binding Affinity Calculations of Amyloid beta

M. Otten, T. W. Watts, S. D. Johnson, R. Sundareswara, Z. Wang, T. S. Hardikar, K. Heitritter, J. Brown, K. Setia, A. Holmes

Details a computational workflow for amyloid-beta binding-affinity calculations using quantum algorithms, with estimated quantum resource requirements at both the logical and hardware levels for the strongly correlated metal centers (iron, copper) implicated in neurodegenerative disease.

Simulating open quantum systems using noise models and NISQ devices with error mitigation

M. Roy, J. John Britto, R. Hill, V. Onofre

Simulates two open quantum system models (Collisional and Markovian Reservoir) on IBM (ibm_kyoto, ibm_osaka) and OQC Lucy hardware, applying Zero-Noise Extrapolation via the Mitiq toolkit to mitigate errors and recover the theoretical results. All simulations and experiments were run in the qBraid environment.

PennyLane: Automatic differentiation of hybrid quantum-classical computations

V. Bergholm, J. Izaac, M. Schuld, C. Gogolin, R. Hill, N. Killoran, et al.

A Python framework for differentiable programming of quantum computers. PennyLane computes gradients of variational quantum circuits compatibly with classical backpropagation, extending automatic differentiation to quantum and hybrid computations, with a plugin system for any gate-based simulator or hardware and interfaces to TensorFlow, PyTorch, JAX, and Autograd.

Offline recovery of magic and entanglement from noisy Pauli product states

E. Lloyd, A. Fleury, M. P. Coons, J. Brown, M. Hernandez

Iterative Qubit Coupled Cluster using only Clifford circuits

J. Brown, M. P. Coons, E. Lloyd, A. Fleury, K. Bieniasz, V. Senicourt, A. Zaribafiyan

Qubit encodings for lattices of dipolar planar rotors

M. S. Moeed, J. Brown, A. Ibrahim, E. V. B. de Oliveira, P.-N. Roy

Nonunitary Coupled Cluster Enabled by Midcircuit Measurements on Quantum Computers

A. Fleury, J. Brown, E. Lloyd, M. Hernandez, I. H. Kim

Calculating potential energy surfaces with quantum computers by measuring only the density along adiabatic transitions

J. Brown

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

A. Tandon, J. Brown, K. Heitritter, T. Hardikar, K. Setia, R. Boettcher, et al.

Quanta-Bind: A quantum computing pipeline for modeling strongly correlated metal-protein interactions

T. S. Hardikar, K. Heitritter, J. Brown, R. D'Cunha, A. Mitra, S. Weatherly, Y. Liu, et al.

qBook: A hands-on cloud-based course platform to learn quantum computing and its applications

R. Young, R. J. Hill, J. Brown, K. Heitritter, T. S. Hardikar, K. Setia

Multipartite entanglement in the development of a hybrid classical/quantum event generator

Z. Ozzello, B. Senseman, A. G. Kaufman, K. Heitritter, Y. L. Meurice, et al.