Annika Bande - Publications, H-index & Citations

Annika Bande

Helmholtz Association

17H指数

87论文数

926被引数

收录论文 36

发表时间

MCTDH simulations of electron dynamics combining bound and continuum states: Impact of the potential representation MCTDH模拟结合束缚态和连续态的电子动力学：势能表示的影响

Chemical Physics Letters

IF3.1

2026-07-01

PREAI

Marando, Sara; Schubert, Frederic; Das, Subhra K.; Salvai, Ramiro; Pelaez, Daniel; Bande, Annika

From Local Atomic Structure to X-ray Spectra: Absorber-Centric Machine-Learning Encoding 从局域原子结构到X射线光谱：吸收体中心的机器学习编码

The Journal of Physical Chemistry A

IF2.8

2026-05-06

OAAI

Thomas James Pope; Bowen Li; Hendrik Junkawitsch; Annika Bande; Thomas James Penfold

Graph neural network architectures for predicting the electrophilicity index: insights from 2D and 3D molecular graph representations 基于图神经网络架构的亲电性指数预测：来自二维和三维分子图表示的见解

phys. chem. chem. phys.

IF0

2026-05-06

OAAI

Sandeep Kumar; Annika Bande

NH3-induced activation of hydrophilic Fe–N–C nanocages for enhanced oxygen reduction reaction NH3诱导的水溶性Fe–N–C纳米笼的活化以增强氧还原反应

Catal. Sci. Technol.

IF4.2

2025-07-30

OAAI

Bin 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

Accelerating wavepacket propagation with machine learning

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2024-06-21

OAAI

Singh, Kanishka; Lee, Ka Hei; Pelaez, Daniel; Bande, Annika

Ground and excited state charge transfer at aqueous nanodiamonds 水性纳米金刚石的基态和激发态电荷转移

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2023-12-18

OAAI

Kirschbaum, Thorren; Wang, Xiangfei; Bande, Annika

Jellyfish: A modular code for wave function-based electron dynamics simulations and visualizations on traditional and quantum compute architectures

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE

IF27

2023-11-27

OAAI

Langkabel, Fabian; Krause, Pascal; Bande, Annika

Integrating Explainability into Graph Neural Network Models for the Prediction of X-ray Absorption Spectra

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2023-10-09

OAAI

Kotobi, Amir; Singh, Kanishka; Hoeche, Daniel; Bari, Sadia; Meissner, Robert H.; Bande, Annika

Machine Learning Frontier Orbital Energies of Nanodiamonds

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2023-04-13

OAAI

Kirschbaum, Thorren; Dzubiella, Joachim; Bande, Annika; Noe, Frank; von Seggern, Boerries

How Regiochemistry Influences Aggregation Behavior and Charge Transport in Conjugated Organosulfur Polymer Cathodes for Lithium-Sulfur Batteries 区域化学如何影响锂硫电池的共轭有机硫聚合物阴极中的聚集行为和电荷传输

ACS NANO

IF16

2023-04-04

OAAI

Schuetze, Yannik; Gayen, Diptesh; Palczynski, Karol; Silva, Ranielle de Oliveira; Lu, Yan; Tovar, Michael; Partovi-Azar, Pouya; Bande, Annika; Dzubiella, Joachim

Hydration Structure of Diamondoids from Reactive Force Fields

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2023-02-06

OAAI

Palczynski, Karol; Kirschbaum, Thorren; Bande, Annika; Dzubiella, Joachim

Three-Electron Dynamics of the Interparticle Coulombic Decay in Doubly Excited Clusters with One-Dimensional Continuum Confinement

MOLECULES

IF4.6

2022-12-09

OAAI

Schaefer, Joana-Lysiane; Langkabel, Fabian; Bande, Annika

Quantum-Compute Algorithm for Exact Laser-Driven Electron Dynamics in Molecules

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2022-11-18

OAAI

Langkabel, Fabian; Bande, Annika

Graph Neural Networks for Learning Molecular Excitation Spectra

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2022-06-07

PREAI

Singh, Kanishka; Munchmeyer, Jannes; Weber, Leon; Leser, Ulf; Bande, Annika

Constructing Binder- and Carbon Additive-Free Organosulfur Cathodes Based on Conducting Thiol-Polymers through Electropolymerization for Lithium-Sulfur Batteries 通过电聚合法构建基于导电硫醇聚合物的无粘合剂和碳添加剂的有机硫阴极，用于锂硫电池

CHEMSUSCHEM

IF6.6

2022-05-30

OAAI

Ning, 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

Effects of oxidative adsorbates and cluster formation on the electronic structure of nanodiamonds

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2022-03-24

OAAI

Kirschbaum, Thorren; Petit, Tristan; Dzubiella, Joachim; Bande, Annika

Early dynamics of the emission of solvated electrons from nanodiamonds in water

NANOSCALE

IF5.1

2022-01-01

OAAI

Buchner, Franziska; Kirschbaum, Thorren; Venerosy, Amelie; Girard, Hugues; Arnault, Jean-Charles; Kiendl, Benjamin; Krueger, Anke; Larsson, Karin; Bande, Annika; Petit, Tristan; Merschjann, Christoph

Three-electron dynamics of the interparticle Coulombic decay with two-dimensional continuum confinement

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2021-02-04

PREAI

Langkabel, Fabian; Bande, Annika

Combined first-principles statistical mechanics approach to sulfur structure in organic cathode hosts for polymer based lithium-sulfur (Li-S) batteries

PHYSICAL CHEMISTRY CHEMICAL PHYSICS

IF2.9

2021-01-01

OAAI

Schuetze, Yannik; Silva, Ranielle de Oliveira; Ning, Jiaoyi; Rappich, Joerg; Lu, Yan; Ruiz, Victor G.; Bande, Annika; Dzubiella, Joachim