Dr. Bernd Bauerhenne

Postdoc - Theoretische Physik II

Telefon+49 561 804-4408
Fax+49 561 804-4006

Curriculum Vitae

2021 - presentPostdoc in the group of Prof. Dr. M. E. Garcia at the university of Kassel
2012 - 2020Scientific stuff in the group of Prof. Dr. M. E. Garcia at the university of Kassel
2020PhD in theoretical Physics (summa cum laude)
2012Dipoma in Physics (1.0 with honors)
2011Diploma in Mathematics (1.0 with honors)
2010Exchange semester at the Université du Luxembourg
2005 - 2012Study of Physics and Mathematics at the University of Kassel
2005Abitur (1.0) at the Alte Landesschule Korbach



Nomination for the selection procedure of the dissertation price

of the Industrie- und Handelskammer Kassel Marburg


Young scientist award in EMRS Spring meeting, Strasbourg


Participation at the 66-th Lindau Nobel Laureate Meeting


Second poster award in CINSAT autumn meeting, Kassel


PhD scholarship from University of Kassel

2014 - 2017

PhD scholarship from Otto-Braun


Erasmus scholarship for an exchange semester in Luxembourg


Exemption from study fees due to outstanding performance in the Vordiploma physics

2005Book prize and free membership in the Deutsche Physikalische Gesellschaft (DPG)


Research interests

  • Ab-initio modelling of the response of matter to a femtosecond laser excitation using electronic temperature dependent density functional theory

  • Large-scale molecular dynamics simulations of laser excited matter

  • Development of highly accurate interatomic potentials to describe laser excited materials using machine learning based methods

  • Simulation of the laser-based generation of nitrogen-vaccancy centers in diamond to generate quantum tokens in the project DIQTOK


Teaching of Lectures

WS 2022/23

Machine Learning with Neural Networks – Theory and Applications

SS 2022

Materials Interaction with Femtosecond Lasers and Machine Learning

WS 2021/22

Quantum mechanics 1

SS 2021

Theoretical Solid State Physics

WS 2020/21

Nummerical solid state physics


  • Development and implementation of physical models

  • Experienced in student supervision for solving highly complex problems

  • Long term programming expertise in Fortran and C++ including parallelization with MPI, OpenMP and OpenAcc

  • Python and C programming

  • High performance computation

  • 3D Visualization with OpenGl

  • Machine Learning on GPU clusters

  • Data analysis with Wolfram Mathematica

  • Design and assembly of high performance computer workstations (HPC)

  • Linux system and cluster administration (transfer and implementation of HPC equipment from TU Darmstadt to Kassel)

  • Fractal image compression


  • Successful crowdfunding project to raise the interest of the young pupils for the Mint subjects to provide schools in Kassel the ability to obtain robots.

  • Working with young pupils on the robots in primary school.

Text book publication

Bernd Bauerhenne, Materials Interaction with Femtosecond Lasers - Theory and Ultra-Large-Scale Simulations of Thermal and Nonthermal Pheomena, Springer, eBook: ISBN 978-3-030-85135-4, hardcover: ISBN 978-3-030-85134-7 (2021), 535 pages. Foreword by Prof. Dr. Martin E. Garcia.

Supervised theses

2022Yannick Werner

Einfluss von van-der-Waals Korrekturen auf die Moleküldynamik von Graphen

bachelor thesis

Nikolas Schüler

Herleitung zur analytischen Beschreibung von optischen Eigenschaften in Festkörpern

bachelor thesis

Pascal Plettenberg

Neural Network Interatomic Potential for Laser-Excited Silicon

master thesis

Malwin Xibraku

Interatomares Potential für laserangeregte Kohlenstoffsysteme

bachelor thesis


Michael Krauskopf

Ab-initio Untersuchung von BN-Dotiertem Silicen und Kohlenstoffnanoröhrchen als Grundlage für einen Terahertzstrahler sowie einer laserangeregten hexagonalen BN-Schicht

diploma thesis

Nils Eschstruth

Ab-initio Untersuchungen der mechanischen Eigenschaften von h-BN dotierten Graphen unter Laseranregung

master thesis


Peer reviewed Publications

Bernd Bauerhenne, Tobias Zier, Martin E. Garcia, Ultrafast quantum processes at the na-

noscale: insights from modelling, chapter of the book Ultrafast Laser Nanostructuring -

The Pursuit of Extreme Scales, Springer (2022).


 T. P. H. Sidiropoulos,  N. Di Palo, D. E. Rivas, S. Severino, M. Reduzzi, B. Nandy, B. Bauerhenne, S. Krylow, T. Vasileiadis, T. Danz, P. Elliott, S. Sharma, K. Dewhurst, C. Ropers, Y. Joly, M. E. Garcia, M. Wolf, R. Ernstorfer, J. Biegert, Probing the Energy Conversion Pathways between Light, Carriers, and Lattice in Real Time with Attosecond Core-Level Spectroscopy, Phys. Rev. X, vol. 11, 041060 (2021).


Bernd Bauerhenne, Martin E. Garcia, Universal behavior of the band gap as a function of

the atomic mean-square displacement in laser-excited silicon, Advanced Optical Technolo-

gies, vol. 15, p. 145701 (2020).


Bernd Bauerhenne, Vladimir P. Lipp, Tobias Zier, Eeuwe S. Zijlstra, Martin E. Garcia,

Self-Learning Method for Construction of Analytical Interatomic Potentials to Describe

Laser-Excited Materials, Phys. Rev. Lett., vol. 124, p. 085501, (2020).


Sergej Krylow, Felipe V. Hernandez, Bernd Bauerhenne, Martin E. Garcia, Ultrafast struc-

tural relaxation dynamics of laser-excited graphene: Ab initio molecular dynamics simula-

tions including electron-phonon interactions, Physical Review B, vol. 101, p. 205428 (2020).


Bernd Bauerhenne, Martin E. Garcia, Performance of state-of-the-art force fields for atomi-

stic simulations of silicon at high electronic temperatures, The European Physical Journal

Special Topics, vol. 227, p. 1615–1629 (2019).


Bernd Bauerhenne, Eeuwe S. Zijlstra, Alan Kalitsov, Martin E. Garcia, Controlling Three

Laser-Excited Coherent Phonon Modes in Boron Nitride Nanotubes To Produce Ultrashort

Shaped Terahertz Pulses: Implications for Memory Devices, ACS Applied Nano Materials,

vol. 1, p. 6932–6937 (2018).


Bernd Bauerhenne, Eeuwe S. Zijlstra, Martin E. Garcia, Molecular Dynamics Simulations

of a femtosecond-laser-induced solid to solid transition in antimony, Appl. Phys. A, vol.

123, pp. 608, (2017).


Sergej Krylow, Eeuwe S. Zijlstra, Fairoja C. Kabeer, Tobias Zier, Bernd Bauerhenne, Mar-

tin E. Garcia, Nonequilibrium dynamics of the phonon gas in ultrafast-excited antimony,

Phys. Rev. Materials, vol. 1, p. 073601 (2017).


Daungruthai Jarukanont, Joao T. S. Coimbra, Bernd Bauerhenne, Pedro A. Fernandes,

Shekhar Patel, Maria J. Ramos, Martin E. Garcia, Biomolecular structure manipulation

using tailored electromagnetic radiation: a proof of concept on a simplified model of the

active site of bacterial DNA topoisomerase, Physical Chemistry Chemical Physics, vol. 16,

pp. 21768-21777, (2014).


Bernd Bauerhenne, Eeuwe S. Zijlstra, Alan Kalitsov, Martin E. Garcia, Mechanical proper-

ties of a boron-nitride nanotube after intense femtosecond-laser excitation, Nanotechnology,

vol. 25, pp. 145701, (2014).


Eeuwe S. Zijlstra, Tobias Zier, Bernd Bauerhenne, Sergej Krylow, Philipp M. Geiger, Mar-

tin E. Garcia, Femtosecond-laser-induced bond breaking and structural modications in sili-

con, TiO2 , and defective graphene - an ab initio molecular dynamics study, Appl. Phys. A,

vol. 114, pp. 1–9, (2014).


Eeuwe S. Zijlstra, Fairoja C. Kabeer, Bernd Bauerhenne, Tobias Zier, Naira Grigoryan,

Martin E. Garcia, Modeling of material properties after ultrashort laser and XUV excita-

tion, Appl. Phys. A, vol. 110, pp. 519–528, (2013).