18.09.2026 aktualisiert
40 % teilweise verfügbar
Scientific Computing & Computational Chemistry | Python · Machine Learning · HPC
Rottenburg am Neckar, Deutschland
Nur Remote
Über mich
PhD researcher in computational chemistry with a background in bioinformatics and computer science. Focused on quantum chemistry, molecular modelling, scientific machine learning, and custom Python/HPC workflows for pharmaceutical and life-science applications.
Skills
Künstliche IntelligenzKünstliche Neurale NetzwerkeComputational ChemistryPythonMachine LearningMolecular ModellingWissenschaftliches RechnenSoftware DesignHigh Performance ComputingGitDatenanalytikSoftware CodingQuantenmechanik
I work in computational chemistry and scientific computing, with a focus on quantum chemistry, molecular modelling, scientific machine learning, and custom Python-based workflows. My experience includes molecular docking and virtual screening, cheminformatics with RDKit, data analysis, research software development, and automation of scientific workflows. I regularly work in Linux and HPC environments using SLURM, Bash, Git, and Nextflow, and have a background in bioinformatics, computer science, and pharmaceutical sciences.
Erfahrung
Berufserfahrung5 - 10 Jahre
Freelancer seit2026
Sprachen
DeutschMutterspracheEnglischverhandlungssicher
Projekthistorie
Development of computational workflows combining quantum chemistry and machine learning for molecular interaction modelling and virtual-screening applications. Scientific Python, HPC, data generation and analysis.
Computational chemistry contributions to multidisciplinary pharmaceutical research, including molecular docking, virtual screening, structure-based modelling and selected molecular dynamics applications.
Development of Python-based scientific tools and automated workflows for molecular modelling, cheminformatics and research data processing, including RDKit, HPC/SLURM and workflow automation.