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Hi there! I'm Benedikt

Benedikt M. Flöser

Computational Chemist at Max-Planck-Institute for Chemical Energy Conversion

I am an experimental-turned-computational chemist and hobby developer with a passion for free software. Professionally, I have mostly worked on transition metal–containing systems such as enzymes and model complexes thereof and studied their geometric/electronic structure and properties. Privately, I like coding and tinkering with software. I love learning and discovering new stuff to integrate in my workflow and am generally enthusiastic about free software and the freedom and possibilities it offers. When not doing any of that I enjoy getting together with friends for good food and board games (the more complex the better) or relaxing with a good book or PC game.

Autodidact
Problem Solver
Team Worker
Eager
Fast Learner

Skills

Experiences

1
Postdoc
Max-Planck-Institute for Chemical Energy Conversion

05/2020 - Present, Mülheim a.d. Ruhr

Responsibilities:
  • Planning and execution of quantum chemical calculations
  • Coordination with coworkers and collaborators concerning planning and analysis of experiments and calculations in synergy
  • Presentation and discussion of results with coworkers and collaborators
  • Maintenance and curation of repository for quantum chemistry–associated code

PhD Student
University of Kiel

10/2014 - 04/2020, Kiel

Responsibilities:
  • Synthesis and spectroscopic characterization of organic and coordination compounds
  • Quantum chemical characterization of transition metal complexes and correlation with experimental results
  • Organization and execution of interdisciplinary cooperations with internal and external institutes
  • Planning and supervision of lab courses and practicals
  • Instruction of coworkers in conducting quantum chemical calculations
  • Presentation and discussion of results with coworkers, collaborators and at conferences
  • Writing and publication of results in scientific journals
2

Education

2012-2014
M.Sc. in Chemistry
Final Thesis: Modellierung, Synthese und Charakterisierung von Spin-Crossover-Verbindungen
Grade: 1.6
2009-2012
B.Sc. in Chemsitry
Final Thesis: Synthese und Charakterisierung von LD-CISSS-Komplexen
Grade: 1.8
Abitur
Grade: 1.6

Projects

pdbman
pdbman
Developer March 2021 - Present

Command line tool to prepare PDB files for use in ORCA QM/MM calculations written in Rust

pdbtbx
pdbtbx
Contributor April 2021 - Present

Parsing library for the PDB file format written in Rust

IRRAS
IRRAS
Developer February 2021

GUI for visualization of experimental and calculated IRRA spectra written in Python

ASH
ASH
Contributor November 2021

Computational Chemistry driver library written in Python

Portfolio Homepage
Portfolio Homepage
Maintainer September 2021 - Present

Maintaining a personal website showcasing my portfolio using Hugo

Blog
Blog
Writer & Maintainer September 2021 - Present

Maintaining a personal blog using Hugo

PiHole Server
PiHole Server
Maintainer 2018 - Present

PiHole Server for filtering DNS requests in home network

Nextcloud Server
Nextcloud Server
Maintainer 2018 - Present

Nextcloud Server for personal file hosting

Accomplishments

Java for Programmers
Codecademy March 2022 - April 2022

This course teaches the basics of Java syntax, data structures and object-oriented programming and provides a few challenges applying the newly learned skills to common interview problems explaining the concept of dynamic programming in the process.

Intermediate Python
Codecademy February 2022 - March 2022

This course covers intermediate Python subjects, such as higher-order functions, object-oriented programming, unit testing, iterators, generators and an overview of built-in collections.

Advanced Python
Codecademy April 2022

This course covers some advanced programming and Python concepts, such as logging, functional and concurrent programming as well as interfacing with relational databases.

Learn HTML
Codecademy March 2022

This course encompasses an introduction to basic HTML elements and document structure, tables, forms and semantic HTML tags. Small website projects are used for practice.

Learn CSS
Codecademy March 2022

This course teaches CSS fundamentals like syntax, selectors and selection rules, the box model, how to display and position elements and style them as well as the basics of typography.

Learn SQL
Codecademy April 2022

This course gives an overview of SQL usage including the manipulation and querying of data, aggregating, grouping and analyzing results and dealing with multiple tables in the same database.

Learn JavaScript
Codecademy May 2022

This course aims to build a foundation of basic syntax, data types, data structures and how to build small teaching projects with them.