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Hire Thomas K.

Germany

USD 40 /hr

Computational Chemist specilization of Biopolymers, Experience with various methods and programs, Python experience

Profile Summary

Computational Chemist with 6+ years of experience, specializing in coarse-grained MD simulations of peptides using machine-learned models. Additionally skilled in quantum-chemical calculations for reaction pathways and spectra (e.g. UV, CD ...). Strong background in chemistry (B.Sc. & M.Sc.), with expertise in various simulation tools, including ORCA, LAMMPS, GROMACS, and CP2K. Proficient in Python and Bash scripting. Throughout my nearly completed PhD, I developed strong scientific writing skills for papers and proposals. Collaborating with both theoretical and experimental groups has given me a broad perspective, enabling me to approach complex problems effectively.

Subject Matter Expertise

• ☆ Chemoinformatics
• ☆ Biopolymers
• ☆ Polymer Chemistry
• ☆ Computational Chemistry

Services

• Research
• Consulting
• Data & AI

Research Scientific and Technical Research, Systematic Literature Review

Consulting Scientific and Technical Consulting

Data & AI Statistical Analysis, Algorithm Design-Non ML, Big Data Analytics

Work Experience

PhD Student

Martin Luther Universität Halle Wittenberg Wirtschaftswissenschaftlicher Bereich

- Present

Scientists

Martin-Luther Universität Halle-Wittenberg

November 2020 - Present

Education

Doctorate

Martin-Luther Universität Halle-Wittenberg - Germany

November 2020 - Present

Master of Science in Chemistry

Martin-Luther Universität Halle-Wittenberg - Germany

October 2018 - October 2020

Bachelors, Chemistry

Martin-Luther Universität Halle-Wittenberg - Germany

October 2015 - February 2019

Certifications

• Certification details not provided.

Publications

JOURNAL ARTICLE

Thomas Kunze, Christian Lauer, Christian Dreßler, Daniel Sebastiani (2024). Assignment of a Physical Energy Scale for the Dimensionless Interaction Energies within the PRIME20 Peptide Model . ChemPhysChem.

Thomas Kunze, Christian Dreßler, Christian Lauer, Wolfgang Paul, Daniel Sebastiani (2024). Reverse Mapping of Coarse Grained Polyglutamine Conformations from PRIME20 Sampling . ChemPhysChem.