activity
20222026
most citedA perspective on the current state-of-the-art of quantum computing for drug discovery applications

190 citations · 289 across the 7 of their papers we have counts for

collaborators

7 papers

quant-ph2026

From Promise to Practice: Closing the Application Gap in Quantum Computing

Nicole Holzmann

Quantum computing is a deep technology whose progress cannot be driven effectively from one direction alone. While the field has developed a growing catalogue of mathematically gro…

cond-mat.mtrl-sci2026

The Future of Computing for Materials Science Challenges

Phalgun Lolur, Richard P. Padbury, George H. Booth +10

Materials discovery increasingly relies on the coordinated use of theory, computation, experiment, data-driven methods, and emerging quantum technologies, yet the full potential of…

quant-ph2023★ 25 cited

Statistical phase estimation and error mitigation on a superconducting quantum processor

Nick S. Blunt, Laura Caune, Róbert Izsák +2

Quantum phase estimation (QPE) is a key quantum algorithm, which has been widely studied as a method to perform chemistry and solid-state calculations on future fault-tolerant quan…

physics.chem-ph2023★ 37 cited

Measuring Electron Correlation. The Impact of Symmetry and Orbital Transformations

Róbert Izsák, Aleksei V Ivanov, Nick S. Blunt +2

In this perspective, the various measures of electron correlation used in wavefunction theory, density functional theory and quantum information theory are briefly reviewed. We the…

quant-ph2022★ 33 cited

Quantum Computation for Periodic Solids in Second Quantization

Aleksei V. Ivanov, Christoph Sünderhauf, Nicole Holzmann +4

In this work, we present a quantum algorithm for ground-state energy calculations of periodic solids on error-corrected quantum computers. The algorithm is based on the sparse qubi…

physics.chem-ph2022★ 190 cited

A perspective on the current state-of-the-art of quantum computing for drug discovery applications

Nick S. Blunt, Joan Camps, Ophelia Crawford +9

Computational chemistry is an essential tool in the pharmaceutical industry. Quantum computing is a fast evolving technology that promises to completely shift the computational cap…

physics.chem-ph2022★ 4 cited

Quantum Computing in Pharma: A Multilayer Embedding Approach for Near Future Applications

Robert Izsak, Christoph Riplinger, Nick S. Blunt +6

Quantum computers are special purpose machines that are expected to be particularly useful in simulating strongly correlated chemical systems. The quantum computer excels at treati…