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Aleksei V. Ivanov

riverlane

13H-index
53Paper Count
640Citation Count
Published Papers 15
Publication Date
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Variational calculations of the excited states of the charged NV-center in diamond using a hybrid functional
errSolid State Sciences
IF3.3
err2026-02-17
err0
PREAI
errLei Sun; Elvar Örn Jónsson; Aleksei Ivanov; Ji Chen; Hannes Jónsson
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Quantum Computation of Electronic Structure with Projector Augmented-Wave Method and Plane Wave Basis Set
errJournal of Chemical Theory and Computation
IF5.5
err2025-08-04
err0
errOAAI
errAleksei 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
errNPJ QUANTUM INFORMATION
IF8.3
err2025-04-01
err0
errOAAI
errGeorges, Timothy N.; Bothe, Marius; Sunderhauf, Christoph; Berntson, Bjorn K.; Izsak, Robert; Ivanov, Aleksei V.
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Pauli decomposition via the fast Walsh-Hadamard transform
errNEW JOURNAL OF PHYSICS
IF2.8
err2025-02-28
err1
errOAAI
errGeorges, Timothy N.; Berntson, Bjorn K.; Suenderhauf, Christoph; Ivanov, Aleksei, V
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errSave
GPAW: An open Python package for electronic structure calculations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-03-07
err58
errOAAI
errMortensen, Jens Jorgen; Larsen, Ask Hjorth; Kuisma, Mikael; Ivanov, Aleksei V.; Taghizadeh, Alireza; Peterson, Andrew; Haldar, Anubhab; Dohn, Asmus Ougaard; Schafer, Christian; Jonsson, Elvar Orn; Hermes, Eric D.; Nilsson, Fredrik Andreas; Kastlunger, Georg; Levi, Gianluca; Jonsson, Hannes; Hakkinen, Hannu; Fojt, Jakub; Kangsabanik, Jiban; Sodequist, Joachim; Lehtomaki, Jouko; Heske, Julian; Enkovaara, Jussi; Winther, Kirsten Trostrup; Dulak, Marcin; Melander, Marko M.; Ovesen, Martin; Louhivuori, Martti; Walter, Michael; Gjerding, Morten; Lopez-Acevedo, Olga; Erhart, Paul; Warmbier, Robert; Wuerdemann, Rolf; Kaappa, Sami; Latini, Simone; Boland, Tara Maria; Bligaard, Thomas; Skovhus, Thorbjorn; Susi, Toma; Maxson, Tristan; Rossi, Tuomas; Chen, Xi; Schmerwitz, Yorick Leonard A.; Schiotz, Jakob; Olsen, Thomas; Jacobsen, Karsten Wedel; Thygesen, Kristian Sommer
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Measuring Electron Correlation: The Impact of Symmetry and Orbital Transformations
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-04-06
err12
errOAAI
errIzsak, Robert; Ivanov, Aleksei V.; Blunt, Nick S.; Holzmann, Nicole; Neese, Frank
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Quantum computation for periodic solids in second quantization
errPHYSICAL REVIEW RESEARCH
IF4.2
err2023-03-23
err14
errOAAI
errIvanov, Aleksei, V; Sunderhauf, Christoph; Holzmann, Nicole; Ellaby, Tom; Kerber, Rachel N.; Jones, Glenn; Camps, Joan
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Chemical bonding theories as guides for self-interaction corrected solutions: Multiple local minima and symmetry breaking
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-12-13
err8
errOAAI
errTrepte, Kai; Schwalbe, Sebastian; Liebing, Simon; Schulze, Wanja T.; Kortus, Jens; Myneni, Hemanadhan; Ivanov, Aleksei V.; Lehtola, Susi
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Direct energy minimization based on exponential transformation in density functional calculations of finite and extended systems
errCOMPUTER PHYSICS COMMUNICATIONS
IF3.4
err2021-10-01
err6
errOAAI
errIvanov, Aleksei, V; Jonsson, Elvar O.; Vegge, Tejs; Jonsson, Hannes
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Assessment of the Accuracy of Density Functionals for Calculating Oxygen Reduction Reaction on Nitrogen-Doped Graphene
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-09-22
err12
errOAAI
errKirchhoff, Bjoern; Ivanov, Aleksei; Skulason, Egill; Jacob, Timo; Fantauzzi, Donato; Jonsson, Hannes
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Method for Calculating Excited Electronic States Using Density Functionals and Direct Orbital Optimization with Real Space Grid or Plane-Wave Basis Set
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-07-06
err16
errOAAI
errIvanov, Aleksei, V; Levi, Gianluca; Jonsson, Elvar O.; Jonsson, Hannes
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Fast and robust algorithm for energy minimization of spin systems applied in an analysis of high temperature spin configurations in terms of skyrmion density
errCOMPUTER PHYSICS COMMUNICATIONS
IF3.4
err2021-03-01
err13
errOAAI
errIvanov, A. V.; Uzdin, V. M.; Jonsson, H.
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errSave
Variational Density Functional Calculations of Excited States via Direct Optimization
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-10-16
err65
errOAAI
errLevi, Gianluca; Ivanov, Aleksei, V; Jonsson, Hannes
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errSave
Variational calculations of excited states via direct optimization of the orbitals in DFT
errFARADAY DISCUSSIONS
IF3.1
err2020-01-01
err40
errOAAI
errLevi, Gianluca; Ivanov, Aleksei V.; Jonsson, Hannes
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Magnetic exchange force microscopy: theoretical analysis of induced magnetization reversals
errNANOSCALE
IF5.1
err2017-01-01
err13
errOAAI
errIvanov, Aleksei; Bessarab, Pavel F.; Uzdin, Valery M.; Jonsson, Hannes
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Research Directions

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Co-authors
Cooperation Journals
F
Frank Neese
H-index: 141 · Papers: 977
H
Hannu Häkkinen
H-index: 88 · Papers: 526
K
Karsten W. Jacobsen
H-index: 86 · Papers: 331
A
Andrew D. Patterson
H-index: 80 · Papers: 538
K
Kristian S. Thygesen
H-index: 79 · Papers: 356
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