Dr Svenja Janke

Ramsay Memorial Fellow

svenja.janke@warwick.ac.uk
Hosted by Computational Surface Science GroupLink opens in a new window

About Me

I am a Ramsay Memorial Fellow. Read more.

Academic Background

2020-2023	WIRL-COFUND Postdoctoral Research Fellow, University of Warwick, Warwick, UK Group of Prof. Dr. Reinhard Maurer
2018-2020	Postdoctoral Researcher, Duke University, Durham, NC, USA Group of Prof. Dr. Volker Blum 2018-2019 Fellowship from the German Research Foundation (DFG)
2017	Postdoctoral Researcher, Fritz Haber Institute of the Max Planck Society, Berlin, Germany, Theory Department of Prof. Dr. Matthias Scheffler, group of Dr. Mariana Rossi in collaboration with Prof. Dr. Volker Blum at Duke University
2016	Postdoctoral Researcher, University of Göttingen, Göttingen, Germany Group of Prof. Dr. Alec Wodtke
2012-2016	Doctoral Researcher, University of Göttingen and Max Planck Institute for Biophysical Chemistry, Göttingen, Germany Group of Prof. Dr. Alec Wodtke
2012	Master of Science, University of Göttingen, Göttingen, Germany
2009	Bachelor of Science, University of Göttingen, Göttingen, Germany

Research interests

I simulate new materials to advance development of more efficient LEDs, solar cells or catalysts. In your smartphone, the display consumes most of the energy, and in solar cells, a large part of the energy from the light is lost. I'm using computer simulations to understand how energy is handled in different materials. In particular, I develop a method that will allow to understand how promising materials gather or give off light. With this understanding, I hope to contribute to the development of more energy-efficient materials, so that, e.g., your smartphone can run longer without charging.

My second research interest is in understanding basic, catalytic processes that happen at metal surfaces. When a molecule like CO hits a metal surface like Au, it can exchange energy with the surface atoms. In some cases, it can also exchange energy with the electrons of the metal. I investigate how processes change if the molecule exchanges much or little energy with the surface electrons.

Publications

2023

Gardner, James, Corken, Daniel, Janke, Svenja M., Habershon, Scott and Maurer, Reinhard J. (2023) Efficient implementation and performance analysis of the independent electron surface hopping method for dynamics at metal surfaces. The Journal of Chemical Physics, 158 (6). 064101 . doi:10.1063/5.0137137 ISSN 0021-9606.

2022

Gardner, James, Corken, Daniel, Janke, Svenja M., Habershon, Scott and Maurer, Reinhard J. (2022) Data for Efficient implementation and performance analysis of the independent electron surface hopping method for dynamics at metal surfaces. [Dataset]

Gardner, James, Douglas-Gallardo, Oscar A., Stark, Wojciech G., Westermayr, Julia, Janke, Svenja Maria, Habershon, Scott and Maurer, Reinhard J. (2022) NQCDynamics.jl : a Julia package for nonadiabatic quantum classical molecular dynamics in the condensed phase. The Journal of Chemical Physics, 156 (17). 174801 . doi:10.1063/5.0089436 ISSN 0021-9606.

Westermayr, Julia, Douglas-Gallardo, Oscar A., Janke, Svenja M., Maurer, Reinhard J. (2022) Machine Learning Accelerated Nonadiabatic Dynamics at Metal Surfaces, Elsevier

Steger, Mark, Janke, Svenja M., Sercel, Peter C., Larson, Bryon W., Lu, Haipeng, Qin, Xixi, Yu, Victor Wen-zhe, Blum, Volker and Blackburn, Jeffrey L. (2022) On the optical anisotropy in 2D metal-halide perovskites. Nanoscale, 14 (3). pp. 752-765. doi:10.1039/d1nr06899g ISSN 2040-3364.

2020

Jana, Manoj K., Song, Ruyi, Liu Haoliang, Khanal, Dipak R. Janke, Svenja M., Zhao, Rundong, Liu Chi, Vardeny, Z. Valy, Blum, Volker, Mitzi, B. David (2020), Organic-to-inorganic structural chirality transfer in a 2D hybrid perovskite and impact on Rashba-Dresselhaus spin-orbit coupling, Nature Communications, 11, 4699, doi: 10.1038/s41467-020-18485-7.

Janke, Svenja M., Rossi, Mariana, Levchenko, Sergey V., Kokott, Sebastian, Scheffler, Matthias, Blum, Volker (2020), Pentacene and tetracene molecules and films on H/Si (111): Level alignment from hybrid density functional theory, Electronic Structure, 2, 035002, doi: 10.1088/2516-1075/ab9bb5

Janke, Svenja M., Qarai, Mohammad B., Blum, Volker, Spano, Frank C. (2020) Frenkel–Holstein Hamiltonian applied to absorption spectra of quaterthiophene-based 2D hybrid organic–inorganic perovskites, The Journal of Chemical Physics, 152, 144702, doi: 10.1063/1.5139044

2019

Gao, Yao, Shi Enzheng, Beng, Shibin, Shiring, Stephen B. Snaider, Jordan M., Liang, Chao, Yuan, Biao, Song, Ruyi, Janke, Svenja M., Liebman-Peláez, Yoo, Pilsun, Zeller, Mattias, Boudouris, Bryan W., Liao, Peilin, Zhu, Chenhui, Blum, Volker, Savoie, Brett M., Huang Libai, Dou, Litian (2019), Molecular engineering of organic–inorganic hybrid perovskites quantum wells, Nature Chemistry, 11, 1151-1157, doi: 10.1038/s41557-019-0354-2.

Jana, Manoj K., Janke, Svenja M., Dirkes, David J., Dovletgeldi, Seyitliyev, Liu, Chi, Qin, Xixi, Gundodu, Kenan, You, Wei, Blum, Volker, Mitzi, David B. (2019), Direct-Bandgap 2D Silver–Bismuth Iodide Double Perovskite: The Structure-Directing Influence of an Oligothiophene Spacer Cation, Journal of the American Chemical Society, 19, 7955-7964, doi: 10.1021/jacs.9b02909.

2018

Kandratsenka, Alexander, Jiang Hongyan, Dorenkamp, Yvonne, Janke, Svenja M., Kammler, Marvin, Wodtke, Alec M., Bünermann, Oliver (2018), Unified description of H-atom–induced chemicurrents and inelastic scattering, Proceedings of the National Academz of Sciences, 115, 680ß684, doi: 10.1073/pnas.171058711.

Dorenkamp, Yvonne, Jiang, Hongyan, Köchert, Hansjochen, Hertl, Nils, Kammler, Marvin, Janke, Svenja M,. Kandratsenka, Alexander, Wodtke, Alec M., Bünermann, Oliver (2018), Hydrogen collisions with transition metal surfaces: Universal electronically nonadiabatic adsorption, The Journal of Chemical Physics, 148, 034706, doi: 10.1063/1.5008982.

2017

Kammler, Marvin, Janke, Svenja M., Kandratsenka, Alexander, Wodtke, Alec M. (2017), Genetic algorithm approach to global optimization of the full-dimensional potential energy surface for hydrogen atom at fcc-metal surfaces, Chemical Physics Letters, 683, 286-290, doi: 10.1016/j.cplett.2017.03.086Link opens in a new window.

2015

Bünermann, Oliver, Jiang Hongyan, Dorenkamp, Yvonne, Kandratsena, Alexander, Janke, Svenja M., Auerbach, Daniel J., Wodtke, Alec M. (2015), Electron-hole pair excitation determines the mechanism of hydrogen atom adsorption, Science, 350, 1346-1349, doi: 10.1126/science.aad4972.

Janke, Svenja M., Auerbach, Daniel J., Wodtke, Alec M., Kandratsenka, Alexander (2015) An accurate full-dimensional potential energy surface for H–Au (111): Importance of nonadiabatic electronic excitation in energy transfer and adsorption, The Journal of Chemical Physics, 143, 124708, doi: 10.1063/1.4931669.

2013

Janke, Svenja M., Pavanello, Kroes, Geert-Jan, Auerbach, Daniel J., Wodtke, Alec M., Kandratsenka, Alexander (2013), Toward detection of electron-hole pair excitation in H-atom collisions with Au (111): Adiabatic molecular dynamics with a semi-empirical full-dimensional potential energy surface, Zeitschrift für Physikalische Chemie, 227, 1467-1490 doi: 10.1524/zpch.2013.0411Link opens in a new window