Profile Details

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USD 100 /hr

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Hire Dr. Alexander P.

United Kingdom

USD 100 /hr

Expert Computational Chemistry Consulting

Profile Summary

Experienced computational chemist specializing in drug design and materials science. Proficient in Python, classical simulation techniques, and generative AI. I provide expert consulting services to streamline your research and achieve your project goals. Python expert with deep knowledge of computational chemistry tools (Chemoinformatics, Docking, MMPBSA, FEP). I build custom scripts, analyze data, and develop predictive models to support your research in drug discovery or materials science.

Subject Matter Expertise

• ★ Chemoinformatics
• ★ Computational Chemistry
• ★ Python
• ☆ Nanotechnology & Nanomaterials
• ☆ Nanotechnology
• ☆ Theoretical Chemistry
• ☆ Data Analysis
• ☆ Artificial Intelligence
• ☆ Particle Physics
• ☆ Excel
• ☆ Scikit-learn
• ☆ Drug Discovery
• ☆ Hit-to-Lead & Lead Optimization
• ☆ Drug Design
• ☆ Structure-Activity Relationship (SAR) Studies
• ☆ Drug Development
• ☆ Small Molecule Drug Development

Services

• Research
• Consulting
• Data & AI
• Product Development

Research Fact Checking, Systematic Literature Review

Consulting Scientific and Technical Consulting

Data & AI Predictive Modeling, Statistical Analysis, Algorithm Design-ML, Data Visualization, Big Data Analytics, Data Cleaning, Data Processing, Data Insights

Product Development Product Evaluation, Product Validation, Concept Development

Work Experience

Digital Chemical Design - Principal Scientist

Syngenta

January 2023 - Present

PhD candidate

University of Bath

October 2019 - March 2023

Education

PhD (Chemistry)

University of Bath

October 2019 - Present

Certifications

• MChem

  University of Bath

  July 2019 - Present

Publications

JOURNAL ARTICLE

A. J. Porter, C. H. Botchway, B. Kwakye-Awuah, C. Hernandez-Tamargo, S. K. Matam, S. L. McHugh, I. P. Silverwood, N. H. de Leeuw, A. J. O'Malley(2022). Local and nanoscale methanol mobility in different H-FER catalysts . Catalysis Science & Technology. 12. (5). p. 1663--1677. Royal Society of Chemistry ({RSC})

A. J. Porter, A. J. O’Malley(2021). A Classical Molecular Dynamics Study on the Effect of Si/Al Ratio and Silanol Nest Defects on Water Diffusion in Zeolite HY . The Journal of Physical Chemistry C. 125. (21). p. 11567--11579. American Chemical Society ({ACS})