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R
Róbert Izsák
riverlane
32
H-index
78
Paper Count
4.5K
Citation Count
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Published Papers
38
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Publication Date
Impact Factor
Citations
Frozen Natural Orbital-Based Extended Second-Order Algebraic Diagrammatic Construction for Core Ionization: Theory; Implementation; and Benchmark
The Journal of Physical Chemistry A
IF
2.8
2026-06-02
0
PRE
AI
Kamal Majee; Tamoghna Mukhopadhyay; Amrita Manna; Róbert Izsák; Achintya Kumar Dutta
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Quantum Computation of Electronic Structure with Projector Augmented-Wave Method and Plane Wave Basis Set
Journal of Chemical Theory and Computation
IF
5.5
2025-08-04
0
OA
AI
Aleksei V. Ivanov; Andrew Patterson; Marius Bothe; Christoph Sünderhauf; Bjorn K. Berntson; Jens Jørgen Mortensen; Mikael Kuisma; Earl Campbell; Róbert Izsák
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Quantum simulations of chemistry in first quantization with any basis set
NPJ QUANTUM INFORMATION
IF
8.3
2025-04-01
0
OA
AI
Georges, Timothy N.; Bothe, Marius; Sunderhauf, Christoph; Berntson, Bjorn K.; Izsak, Robert; Ivanov, Aleksei V.
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Statistical Phase Estimation and Error Mitigation on a Superconducting Quantum Processor
PRX QUANTUM
IF
11
2023-12-12
6
OA
AI
Blunt, Nick S.; Caune, Laura; Izsak, Robert; Campbell, Earl T.; Holzmann, Nicole
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Measuring Electron Correlation: The Impact of Symmetry and Orbital Transformations
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF
5.5
2023-04-06
12
OA
AI
Izsak, Robert; Ivanov, Aleksei V.; Blunt, Nick S.; Holzmann, Nicole; Neese, Frank
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Perspective on the Current State-of-the-Art of Quantum Computing for Drug Discovery Applications
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF
5.5
2022-11-10
61
OA
AI
Blunt, Nick S.; Camps, Joan; Crawford, Ophelia; Izsak, Robert; Leontica, Sebastian; Mirani, Arjun; Moylett, Alexandra E.; Scivier, Sam A.; Sunderhauf, Christoph; Schopf, Patrick; Taylor, Jacob M.; Holzmann, Nicole
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Quantum computing in pharma: A multilayer embedding approach for near future applications
JOURNAL OF COMPUTATIONAL CHEMISTRY
IF
4.8
2022-07-05
13
OA
AI
Izsak, Robert; Riplinger, Christoph; Blunt, Nick S.; de Souza, Bernardo; Holzmann, Nicole; Crawford, Ophelia; Camps, Joan; Neese, Frank; Schopf, Patrick
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An improved chain of spheres for exchange algorithm
JOURNAL OF CHEMICAL PHYSICS
IF
3.1
2021-09-13
164
OA
AI
Helmich-Paris, Benjamin; de Souza, Bernardo; Neese, Frank; Izsak, Robert
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Fragment-Based Local Coupled Cluster Embedding Approach for the Quantification and Analysis of Noncovalent Interactions: Exploring the Many-Body Expansion of the Local Coupled Cluster Energy
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF
5.5
2021-05-26
14
OA
AI
Ghosh, Soumen; Neese, Frank; Izsak, Robert; Bistoni, Giovanni
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Redesigning donor-acceptor Stenhouse adduct photoswitches through a joint experimental and computational study
CHEMICAL SCIENCE
IF
7.4
2021-01-01
24
OA
AI
Berraud-Pache, Romain; Santamaria-Aranda, Eduardo; de Souza, Bernardo; Bistoni, Giovanni; Neese, Frank; Sampedro, Diego; Izsak, Robert
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A New Benchmark Set for Excitation Energy of Charge Transfer States: Systematic Investigation of Coupled Cluster Type Methods
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF
5.5
2020-06-05
62
OA
AI
Kozma, Balazs; Tajti, Attila; Demoulin, Baptiste; Izsak, Robert; Nooijen, Marcel; Szalay, Peter G.
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Unveiling the Photophysical Properties of Boron-dipyrromethene Dyes Using a New Accurate Excited State Coupled Cluster Method
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF
5.5
2019-11-25
80
OA
AI
Berraud-Pache, Romain; Neese, Frank; Bistoni, Giovanni; Izsak, Robert
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Single-reference coupled cluster methods for computing excitation energies in large molecules: The efficiency and accuracy of approximations
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF
27
2019-09-12
72
OA
AI
Izsak, Robert
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Accurate Band Gap Predictions of Semiconductors in the Framework of the Similarity Transformed Equation of Motion Coupled Cluster Theory
INORGANIC CHEMISTRY
IF
4.7
2019-06-26
70
OA
AI
Dittmer, Anneke; Izsak, Robert; Neese, Frank; Maganas, Dimitrios
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Efficient simulation of overtones and combination bands in resonant Raman spectra
JOURNAL OF CHEMICAL PHYSICS
IF
3.1
2019-06-03
27
PRE
AI
de Souza, Bernardo; Farias, Giliandro; Neese, Frank; Izsak, Robert
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A domain-based local pair natural orbital implementation of the equation of motion coupled cluster method for electron attached states
JOURNAL OF CHEMICAL PHYSICS
IF
3.1
2019-04-29
64
PRE
AI
Dutta, Achintya Kumar; Saitow, Masaaki; Demoulin, Baptiste; Neese, Frank; Izsak, Robert
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Multilayer Approach to the IP-EOM-DLPNO-CCSD Method: Theory, Implementation, and Application
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF
5.5
2019-03-12
25
PRE
AI
Haldar, Soumi; Riplinger, Christoph; Demoulin, Baptiste; Neese, Frank; Izsak, Robert; Dutta, Achintya Kumar
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Predicting Phosphorescence Rates of Light Organic Molecules Using Time-Dependent Density Functional Theory and the Path Integral Approach to Dynamics
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF
5.5
2019-02-05
209
OA
AI
de Souza, Bernardo; Farias, Giliandro; Neese, Frank; Izsak, Robert
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Systematic High-Accuracy Prediction of Electron Affinities for Biological Quinones
JOURNAL OF COMPUTATIONAL CHEMISTRY
IF
4.8
2018-10-03
12
PRE
AI
Schulz, Christine E.; Dutta, Achintya Kumar; Izsak, Robert; Pantazis, Dimitrios A.
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An efficient pair natural orbital based configuration interaction scheme for the calculation of open-shell ionization potentials
JOURNAL OF CHEMICAL PHYSICS
IF
3.1
2018-09-21
11
PRE
AI
Sen, Avijit; de Souza, Bernardo; Huntington, Lee M. J.; Krupicka, Martin; Neese, Frank; Izsak, Robert
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Research Directions
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Co-authors
Cooperation Journals
F
Frank Neese
H-index: 141 · Papers: 977
E
Eckhard Bill
H-index: 96 · Papers: 1.2K
W
Wolfgang Lubitz
H-index: 89 · Papers: 659
T
Trygve Helgaker
H-index: 87 · Papers: 435
A
Andrew D. Patterson
H-index: 80 · Papers: 538
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