activity
20242026
most citedCrossing the 12,000-atom barrier with heterogeneous quantum-classical supercomputing: quantum chemistry of protein-ligand complexes

1 citations · 2 across the 15 of their papers we have counts for

collaborators
Showing 2025Show all

7 papers · 1 filter

quant-ph2025

Domain-Aware Quantum Circuit for QML

Gurinder Singh, Thaddeus Pellegrini, Kenneth M. Merz

Designing parameterized quantum circuits (PQCs) that are expressive, trainable, and robust to hardware noise is a central challenge for quantum machine learning (QML) on noisy inte…

quant-ph2025

Improved parameter initialization for the (local) unitary cluster Jastrow ansatz

Wan-Hsuan Lin, Fangchun Liang, Mario Motta +3

The unitary cluster Jastrow (UCJ) ansatz and its variant known as local UCJ (LUCJ) are promising choices for variational quantum algorithms for chemistry due to their combination o…

quant-ph2025

Quantum Algorithm for Protein Structure Prediction Using the Face-Centered Cubic Lattice

Rui-Hao Li, Hakan Doga, Bryan Raubenolt +16

In this work, we present the first implementation of the face-centered cubic (FCC) lattice model for protein structure prediction with a quantum algorithm. Our motivation to encode…

quant-ph2025★ 1 cited

Improving GANs by leveraging the quantum noise from real hardware

Hongni Jin, Kenneth M. Merz

We propose a novel approach to generative adversarial networks (GANs) in which the standard i.i.d. Gaussian latent prior is replaced or hybridized with a quantum-correlated prior d…

physics.chem-ph2025

Quantum-Centric Alchemical Free Energy Calculations

Milana Bazayeva, Zhen Li, Danil Kaliakin +4

In the present work, we present a hybrid quantum-classical workflow aimed at improving the accuracy of alchemical free energy (AFE) predictions by incorporating configuration inter…

quant-ph2025

QFGN: A Quantum Approach to High-Fidelity Implicit Neural Representations

Hongni Jin, Gurinder Singh, Kenneth M. Merz

Implicit neural representations have shown potential in various applications. However, accurately reconstructing the image or providing clear details via image super-resolution rem…

quant-ph2025

Benchmarking MedMNIST dataset on real quantum hardware

Gurinder Singh, Hongni Jin, Kenneth M. Merz

Quantum machine learning (QML) has emerged as a promising domain to leverage the computational capabilities of quantum systems to solve complex classification tasks. In this work,…