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20212026
most citedQuantum Computational Quantification of Protein-Ligand Interactions

64 citations · 84 across the 6 of their papers we have counts for

collaborators

8 papers

quant-ph2026

Problem-aware sampling for bias and variance reduction in randomised Hamiltonian simulation

Brian Coyle, Jonathan H. Fetherolf, Antonio Márquez Romero +3

Randomised quantum simulation algorithms such as qDRIFT reduce circuit depth by replacing deterministic product formulas with stochastic compilations, but achieving high accuracy c…

quant-ph2026

OpenQARP: a modular framework for quantum application research

Stefano Scali, Vicente P. Soloviev, Antonio Márquez Romero +7

We introduce OpenQARP, the Open Quantum Application Research Package: an open-source Python framework for quantum application research, built on a compiled C++ core. In OpenQARP, a…

quant-ph2025★ 1 cited

Purified phase estimation samples spectra efficiently

Stefano Scali, Josh Kirsopp, Antonio Márquez Romero +1

Quantum phase estimation (QPE) is a cornerstone algorithm for extracting Hamiltonian eigenvalues, but its standard, eigenstate-centric form relies on carefully prepared coherent in…

quant-ph2025

Study of nuclear magnetic resonance spectra with the multi-modal multi-level quantum complex exponential least squares algorithm

Antonio Marquez Romero, Josh J. M. Kirsopp, Giuseppe Buonaiuto +1

We present a novel application of the multi-modal, multi-level quantum complex exponential least squares (MM-QCELS) algorithm, a state-of-the-art, early fault-tolerant quantum phas…

quant-ph2025

A simple method for seniority-zero quantum state preparation

Michal Krompiec, Josh J. M. Kirsopp, Antonio Márquez Romero +1

Quantum Phase Estimation (QPE), the quantum algorithm for estimating eigenvalues of a given Hermitian matrix and preparing its eigenvectors, is considered the most promising approa…

quant-ph2025

Scaling Portfolio Diversification with Quantum Circuit Cutting Techniques

Vicente P. Soloviev, Antonio Márquez Romero, Josh Kirsopp +1

Quantum Approximate Optimization Algorithms (QAOA) have demonstrated a strong potential in addressing graph-based optimization problems. However, the execution of large-scale quant…

quant-ph2022★ 19 cited

Chemically Aware Unitary Coupled Cluster with ab initio Calculations on System Model H1: A Refrigerant Chemicals Application

I. T. Khan, M. Tudorovskaya, J. J. M. Kirsopp +4

Circuit depth reduction is of critical importance for quantum chemistry simulations on current and near term quantum computers. This issue is tackled by introducing a chemically aw…

quant-ph2021★ 64 cited

Quantum Computational Quantification of Protein-Ligand Interactions

Josh John Mellor Kirsopp, Cono Di Paola, David Zsolt Manrique +7

We have demonstrated a prototypical hybrid classical and quantum computational workflow for the quantification of protein-ligand interactions. The workflow combines the Density Mat…