Curriculum vitae
Simon Dürr
German
Education
11/2019 - now
PhD Student
at École Polytechnique Fédérale de Lausanne, Switzerland
Computational Enzyme Design with QM/MM simulations and evolutionary algorithms
Computational Enzyme Design with QM/MM simulations and evolutionary algorithms
10/2016 - 09/2019
M.Sc Life Science
at University of Konstanz, Germany
Focus on computational chemistry and structural biology, with distinction
Focus on computational chemistry and structural biology, with distinction
08/2017 - 06/2018
Exchange
Chemistry Department, Upppsala University, Sweden
Computational Quantum Chemistry and Protein Engineering
Computational Quantum Chemistry and Protein Engineering
10/2013 - 09/2016
B.Sc Life Science
University of Konstanz, Germany
Research experience
10/2018 - 07/2019
Masterthesis
LCBC, École Polytechnique Fédérale de Lausanne, Switzerland
Computational Enzyme Design with QM/MM simulations and evolutionary algorithms
Computational Enzyme Design with QM/MM simulations and evolutionary algorithms
01/2018 - 05/2018
Research Internship
Research Internship, Kamerlin Lab, ICM, Uppsala University, Sweden
QM/MM Refinement
06/2016 - 09/2016
Research Internship
Diederichs Lab (Department of Biology) and Peter Lab (Department of Chemistry) University of Konstanz, Germany
QM/MM Refinement
QM/MM Refinement
06/2016 - 09/2016
Bachelorthesis
Rosta Lab, Department of Chemistry, Kings College London
QM/MM Simulations
QM/MM Simulations
08/2015 - 10/2015
Research Internship
Pelletier Lab, Department of Chemistry, Université de Montréal
MD Simulations, Implicit Ligand Sampling
MD Simulations, Implicit Ligand Sampling
Scholarships and Awards
2013 - 2019
German National Academic Foundation
Studienstiftung des Deutschen Volkes
Studienstiftung des Deutschen Volkes
08/2015 - 10/2015
German Academic Exchange service
Deutscher Akademischer Austauschdienst
Deutscher Akademischer Austauschdienst
Workshops
2021
Algorithms in Structural Bioinformatics, 7.11-12.11.2021 at Ecole Thématique of CNRS, France in Marseille
2019
Multiscale Modeling from Macromolecules to Cell: Opportunities and Challenges of Biomolecular Simulations - 4.2.2019 - 6.2.2019 at CECAM-HQ-EPFL, Lausanne, Switzerland, Hybrid Quantum Mechanics / Molecular Mechanics (QM/MM) Approaches to Biochemistry and Beyond 8.4.2019 - 12.4.2019 at CECAM-HQ EPFL Lausanne, CECAM 50 year anniversary conference: Molecular and materials simulation at the turn of the decade. 10-12.9.2019 SwissTec Convention Center EPFL Lausanne, Switzerland, High-performance computing with Python, 10.-13.11.2019, CSCS Lugano, Switzerland
2018
34th Winter School in Theoretical Chemistry on "Machine Learning in Chemistry", 10.12-13.12.2018 at University of Helsinki, Finnland
2017
MGMS conference on QM/MM Methods and Applications, 4.9-6.9.2017 at University of Manchester, Manchester, UK.
Languages
German, English, French, Spanish, Swedish
Programming
Python (SciKit Learn, PyTorch), Bash, PHP, Javascript, HTML, CSS