Konstantin Nomerotski

New York, NY | k-nom@outlook.com | k-nom.com | www.linkedin.com/in/k-nom/

US Citizen

Education

University of Bristol

Master of Science with Honors in Chemistry with Scientific Computing – 3.8 GPA

Sept 2020 – Jul 2024

Activities & Achievements: Thesis grade 76%, First Class Honors, Member of the Fusion Chemistry Society

Relevant modules: Core Chemistry, Scientific Computing, Data Science, AI and Deep Learning, High-Performance Computing, Models and Predictions, Practical Chemistry, Mathematics

Thesis project: Efficient Calculation of Photoabsorption Cross-Sections for Volatile Organic Compounds

Work Experience

Scientific Software Engineer - Intern

Examol Corporation – New York City

Feb 2025 – Present

  • Collaborated on a startup team to develop Molecular Dynamics (MD) simulation infrastructure for binding energy calculations, enabling lead optimization in cloud-based drug discovery workflows.
  • Implemented a method for calculating absolute free binding energy of small molecules using Python, Flyte, Git, Docker, and Azure VM.
  • Developed workflows for equilibration and simulation of protein-ligand complexes using OpenMM, OpenFF, AmberTools, and MDTraj.

Research Associate

Insilico Photochemistry Group – University of Bristol

Sept 2023 – Jun 2024

  • Implemented machine learning methods, including Simulated Annealing and Kernel Ridge Regression, for efficient in silico UV-vis spectrum calculation.
  • Developed an automated workflow using Python, Bash, and SLURM scripts, reducing runtime by 80% and enabling exploration of more complex molecules.
  • Processed and visualized large datasets using Pandas and Matplotlib, presenting results in meetings.

Waiter / Bartender

Bierhaus NYC | Adelina Yard | The Albion pub

Sept 2020 – Present

  • Delivered excellent customer service in fast-paced environments, managing high volume tables and ensuring guest satisfaction.

Project Experience

Ligand-X: Automated Protein Simulation Platform

Full Stack Web Application / Cheminformatics

2025 – Present

  • Developed a comprehensive web-based platform for structural, physical, and chemical analysis of ligand-protein complexes, streamlining computer-aided drug discovery workflows.
  • Designed and implemented a distributed microservices architecture utilizing FastAPI, Celery, RabbitMQ, and Redis to orchestrate computationally intensive simulations.
  • Integrated state-of-the-art computational chemistry tools into isolated Docker containers, including OpenMM, AutoDock Vina, OpenFF, OpenFE, and ORCA.
  • Built a responsive frontend using React, Next.js, TypeScript, Mol* 3D visualization, and Ketcher molecular editor for seamless interactive data analysis.

Portfolio Website Oct 2024 – Present

GH Pages, HTML, Jekyll, SCSS

Wine Physiochemical Data ML Project Feb 2024 – Apr 2024

Pandas, Scikit-learn, Matplotlib

Distributed Higgs Boson Decay Processing Oct 2023 – Dec 2023

Python, Docker, RabbitMQ

Soft Skills

  • Languages: English and Russian (fluent)
  • Other: Teamwork | Communication | Domain Knowledge | Initiative | Project Management | Customer Service | Time Management | Active Learner | Collaboration | Data Analysis