Andrew Gray

Selbstständig, Independent Data Engineering Training & Projects, Self-Directed Projects & Training

Fähigkeiten und Kenntnisse

Analytical Chemistry
Analytics
Data Modeling
Apache Airflow
Data Pipelines
Bash
Amazon Redshift
Extract, Transform, Load (ETL)
Data Validation
Biochemistry
Amazon Relational Database Service (RDS)
Databases
Chemistry
Amazon S3
Fluorescence Spectroscopy
Linux System Administration
Density Functional Theory
Cloud Computing
Gaussian
DFT
Computational Chemistry
Mass Spectrometry
Amazon Web Services (AWS)
Git
DL_Poly
Data Analysis
Materials Science
HPLC
Data Analytics
Docker Products
Nanotechnology
Ion Trap
ELT
Protein Chemistry
Organic Chemistry
IRMPD Spectroscopy
Python
ESI-MS
pandas
Kubernetes
Python (Programming Language)
Pandas (Software)
R
Life Sciences
Theoretical Chemistry
Physical Chemistry
Research
Linux
Unix
Physical Organic Chemistry
Science
PostgreSQL
Scientific Computing
Sonic Spray Ionisation
Spectroscopy
SQL

Werdegang

Berufserfahrung von Andrew Gray

  • Current 6 years and 10 months, since Aug 2019

    Independent Data Engineering Training & Projects

    Self-Directed Projects & Training

    Focused on formal retraining and independent technical development alongside family responsibilities. • Completed the Bosch / Udacity Data Engineering Nanodegree (Python, SQL, data modeling, ETL concepts, workflow automation) • Applied course concepts in self-directed Python projects focused on data validation and reproducible data processing • Maintained strong foundations in Python, Linux-based environments, and structured data workflows • Authored a 65,000-word science reference book and created educati

  • 3 years and 1 month, Aug 2016 - Aug 2019

    Postdoctoral Researcher (Computational Chemistry & Data Processing)

    TU Munich

    Postdoctoral role focused on large-scale computational research with a strong emphasis on data processing, automation, and reproducible workflows. • Built Python and Bash pipelines to process and validate large simulation datasets produced on HPC clusters • Automated data preparation and analysis workflows across multiple research projects, reducing manual processing and improving reproducibility • Worked extensively in Linux-based HPC environments, managing batch jobs and large volumes of structured outpu

  • 2012 - 2016

    Postdoctoral Researcher (Computational Chemistry)

    Charles University in Prague

    Postdoctoral research role focused on computational analysis of chemical reaction systems, with an emphasis on data processing and reproducible workflows. • Built Python-based analysis scripts to process and compare reaction energy profiles across multiple computational methods • Developed workflows to extract, transform, and visualise structured output data from different simulation packages • Worked with heterogeneous datasets and inconsistent output formats, requiring careful validation and standardisat

Ausbildung von Andrew Gray

  • 5 months, Aug 2022 - Dec 2022

    Data Engineer for AI Applications

    Udacity

    Completed a structured Data Engineering Nanodegree focused on designing and building data pipelines for analytics and AI-oriented use cases. Covered relational and NoSQL data modeling, cloud data warehousing, ETL workflows, and data lake concepts, with hands-on projects involving Spark-based proces

  • 2007 - 2012

    Doctor of Philosophy (PhD)

    The University of Edinburgh

    Doctoral research combining mass spectrometry data with computational modelling to study complex chemical systems. Involved large-scale data analysis, comparison of experimental and simulated results, and validation of computational models against experimental measurements. Developed scripts and wo

  • 2002 - 2007

    Master of Chemistry

    The University of Edinburgh

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