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Annika Bande

helmholtz-zentrum berlin für materialien und energie gmbh

17H-index
86Paper Count
926Citation Count
Published Papers 35
Publication Date
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From Local Atomic Structure to X-ray Spectra: Absorber-Centric Machine-Learning Encoding
errThe Journal of Physical Chemistry A
IF2.8
err2026-05-06
err0
errOAAI
errThomas James Pope; Bowen Li; Hendrik Junkawitsch; Annika Bande; Thomas James Penfold
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Graph neural network architectures for predicting the electrophilicity index: insights from 2D and 3D molecular graph representations
errphys. chem. chem. phys.
IF0
err2026-05-06
err0
errOAAI
errSandeep Kumar; Annika Bande
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errSave
NH3-induced activation of hydrophilic Fe–N–C nanocages for enhanced oxygen reduction reaction
errCatal. Sci. Technol.
IF4.2
err2025-07-30
err0
errOAAI
errBin Wu; Haibing Meng; Dulce M. Morales; Bo Liu; Deniz Wong; Christian Schulz; Giacomo Zuliani; Maddalena Zoli; Omeshwari Y. Bisen; Samuel Hall; Annika Bande; Zhenbo Wang; Marcel Risch; Tristan Petit
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Accelerating wavepacket propagation with machine learning
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2024-06-21
err0
errOAAI
errSingh, Kanishka; Lee, Ka Hei; Pelaez, Daniel; Bande, Annika
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Ground and excited state charge transfer at aqueous nanodiamonds
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2023-12-18
err0
errOAAI
errKirschbaum, Thorren; Wang, Xiangfei; Bande, Annika
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Jellyfish: A modular code for wave function-based electron dynamics simulations and visualizations on traditional and quantum compute architectures
errWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
err2023-11-27
err0
errOAAI
errLangkabel, Fabian; Krause, Pascal; Bande, Annika
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Integrating Explainability into Graph Neural Network Models for the Prediction of X-ray Absorption Spectra
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2023-10-09
err11
errOAAI
errKotobi, Amir; Singh, Kanishka; Hoeche, Daniel; Bari, Sadia; Meissner, Robert H.; Bande, Annika
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Machine Learning Frontier Orbital Energies of Nanodiamonds
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-04-13
err4
errOAAI
errKirschbaum, Thorren; Dzubiella, Joachim; Bande, Annika; Noe, Frank; von Seggern, Boerries
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How Regiochemistry Influences Aggregation Behavior and Charge Transport in Conjugated Organosulfur Polymer Cathodes for Lithium-Sulfur Batteries
errACS NANO
IF16
err2023-04-04
err11
errOAAI
errSchuetze, Yannik; Gayen, Diptesh; Palczynski, Karol; Silva, Ranielle de Oliveira; Lu, Yan; Tovar, Michael; Partovi-Azar, Pouya; Bande, Annika; Dzubiella, Joachim
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Hydration Structure of Diamondoids from Reactive Force Fields
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2023-02-06
err2
errOAAI
errPalczynski, Karol; Kirschbaum, Thorren; Bande, Annika; Dzubiella, Joachim
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errSave
Three-Electron Dynamics of the Interparticle Coulombic Decay in Doubly Excited Clusters with One-Dimensional Continuum Confinement
errMOLECULES
IF4.6
err2022-12-09
err1
errOAAI
errSchaefer, Joana-Lysiane; Langkabel, Fabian; Bande, Annika
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errSave
Quantum-Compute Algorithm for Exact Laser-Driven Electron Dynamics in Molecules
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-11-18
err3
errOAAI
errLangkabel, Fabian; Bande, Annika
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errSave
Graph Neural Networks for Learning Molecular Excitation Spectra
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-06-07
err17
PREAI
errSingh, Kanishka; Munchmeyer, Jannes; Weber, Leon; Leser, Ulf; Bande, Annika
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errSave
Constructing Binder- and Carbon Additive-Free Organosulfur Cathodes Based on Conducting Thiol-Polymers through Electropolymerization for Lithium-Sulfur Batteries
errCHEMSUSCHEM
IF6.6
err2022-05-30
err11
errOAAI
errNing, Jiaoyi; Yu, Hongtao; Mei, Shilin; Schuetze, Yannik; Risse, Sebastian; Kardjilov, Nikolay; Hilger, Andre; Manke, Ingo; Bande, Annika; Ruiz, Victor G.; Dzubiella, Joachim; Meng, Hong; Lu, Yan
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Effects of oxidative adsorbates and cluster formation on the electronic structure of nanodiamonds
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2022-03-24
err8
errOAAI
errKirschbaum, Thorren; Petit, Tristan; Dzubiella, Joachim; Bande, Annika
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Early dynamics of the emission of solvated electrons from nanodiamonds in water
errNANOSCALE
IF5.1
err2022-01-01
err24
errOAAI
errBuchner, Franziska; Kirschbaum, Thorren; Venerosy, Amelie; Girard, Hugues; Arnault, Jean-Charles; Kiendl, Benjamin; Krueger, Anke; Larsson, Karin; Bande, Annika; Petit, Tristan; Merschjann, Christoph
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errSave
Three-electron dynamics of the interparticle Coulombic decay with two-dimensional continuum confinement
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-02-04
err3
PREAI
errLangkabel, Fabian; Bande, Annika
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errSave
Combined first-principles statistical mechanics approach to sulfur structure in organic cathode hosts for polymer based lithium-sulfur (Li-S) batteries
errPHYSICAL CHEMISTRY CHEMICAL PHYSICS
IF2.9
err2021-01-01
err10
errOAAI
errSchuetze, Yannik; Silva, Ranielle de Oliveira; Ning, Jiaoyi; Rappich, Joerg; Lu, Yan; Ruiz, Victor G.; Bande, Annika; Dzubiella, Joachim
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errSave
Proton-Coupled Electron-Transfer Dynamics of Water Oxidation at N-Doped Graphene Oxides
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2020-11-24
err11
PREAI
errWeber, Fabian; Tremblay, Jean Christophe; Bande, Annika
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Role of Dopants on the Local Electronic Structure of Polymeric Carbon Nitride Photocatalysts
errSMALL METHODS
IF9.1
err2020-11-03
err15
errOAAI
errRen, Jian; Lin, Lihua; Lieutenant, Klaus; Schulz, Christian; Wong, Deniz; Gimm, Thorren; Bande, Annika; Wang, Xinchen; Petit, Tristan
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Research Directions

No research directions
Co-authors
Cooperation Journals
L
Lorenz S. Cederbaum
H-index: 94 · Papers: 781
J
Josef Michl
H-index: 84 · Papers: 1.1K
I
Ingo Manke
H-index: 73 · Papers: 595
U
Ute Resch‐Genger
H-index: 71 · Papers: 571
孟
孟鸿 (Hong Meng)
H-index: 69 · Papers: 601
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