Róbert Izsák

15PUBLICATIONS
26CO-AUTHORS
Radiation and matterTheoretical quantum chemistryStatistical mechanics, physical combinatorics and mathematical aspects of condensed matterPolymerisation mechanismsCondensed matter modelling and density functional theory
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Publications (15)

|Jun 02, 2026
Frozen Natural Orbital-Based Extended Second-Order Algebraic Diagrammatic Construction for Core Ionization: Theory, Implementation, and Benchmark.

|Sep 29, 2025
The Electronic Structure of the Hydrogen Molecule: A Tutorial Exercise in Classical and Quantum Computation.

Vincent Graves, Christoph Sünderhauf, Nick S Blunt

|Aug 04, 2025
Quantum Computation of Electronic Structure with Projector Augmented-Wave Method and Plane Wave Basis Set.

Aleksei V Ivanov, Andrew Patterson, Marius Bothe

|Apr 06, 2023
Measuring Electron Correlation: The Impact of Symmetry and Orbital Transformations.

Róbert Izsák, Aleksei V Ivanov, Nick S Blunt

|Nov 10, 2022
Perspective on the Current State-of-the-Art of Quantum Computing for Drug Discovery Applications.

Nick S Blunt, Joan Camps, Ophelia Crawford

|Jul 05, 2022
Quantum computing in pharma: A multilayer embedding approach for near future applications.

Róbert Izsák, Christoph Riplinger, Nick S Blunt

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Frequent Collaborators

9 joint publications

Frank Neese

4 joint publications

Romain Berraud-Pache

4 joint publications

Giovanni Bistoni

4 joint publications

Nick S Blunt