About Me

I am a computational chemistry PhD candidate at Yale, where I work in the Batista Lab. My research is centered at the intersection of machine learning and the physical sciences. I build models for multi-step retrosynthesis and quantum property prediction, and use them as testbeds for exploring mechanistic interpretability.

Education

Ph.D. Candidate in Theoretical & Computational Chemistry

2025 - 2027 (Expected)

Yale University

Advisor: Prof. Victor S. Batista

M.Sc. in Chemistry

2023 - 2024

Yale University

Grade Average: Honors

S.B. in Chemistry and Biology, Minor in Computer Science

2018 - 2023

Massachusetts Institute of Technology

GPA: 5.0/5.0. Phi Beta Kappa.

Research & Professional Experience

Graduate Student

Nov 2023 - Present

Prof. Victor S. Batista Lab, Yale University

  • Developed a novel active learning framework using property-based chemical space representations to reduce computational cost by 10x for aligning generative models.
  • Built an end-to-end multi-step retrosynthesis model with SOTA route quality, placing 2nd in the Standard Industries Challenge.
  • Developed and self-hosted a web interface to deploy the lab's ML models for public use.

ML Research Intern

Jun 2025 - Aug 2025

Stealth Startup

  • Architected an end-to-end reaction plausibility filtering framework and devised novel negative data generation methods.
  • Rebuilt core GNN architecture into a production-ready PyTorch implementation, achieving a 2x inference speedup.

Graduate Research Assistant

Jul 2024 - Feb 2025

Los Alamos National Laboratory

  • Worked on modeling light-matter interactions from first principles in the Center for Nonlinear Studies (T-Division).

Undergraduate Researcher

Feb 2022 - May 2023

Prof. Troy Van Voorhis Lab, MIT

  • Developed an MP2-based composite method achieving gold-standard CCSD accuracy for core-electron binding energies at a fraction of the computational cost.
  • Automated a computational pipeline with over 2,000 lines of Python/Shell to streamline quantum chemistry workflows.

Leadership & Initiatives

Co-Founder & Project Manager

Apr 2020 - Present

Beyond Curriculum Public Foundation

  • Co-founded a student-led non-profit for STEM education, building a resource now used by 90% of Kazakhstan's national chemistry medalists.
  • Platform growth directly correlated with a reversal of a 5-year IChO gold medal drought for the country (2021-2025).
  • Secured over $40,000 in grants and managed a remote team of 70+ volunteers.

Chairman & Head Mentor

Nov 2021 - Mar 2023

Kazakhstan Chemistry Olympiads Association (QazChO)

  • Established a national association to increase transparency in national team selection and training protocols.
  • Authored 70+ problems for national olympiads and implemented data analysis pipelines.
  • Represented the Kazakhstan delegation as a translator and arbitrator at IChO (2019-2022).

Technical Skills

Languages

Python, TypeScript, JavaScript, Shell, SQL, LaTeX

Machine Learning

PyTorch, PyTorch Geometric, DGL, scikit-learn, NumPy

Full-Stack Development

Next.js, React, Node.js, PostgreSQL, Prisma, Flask

Scientific Computing

RDKit, ORCA, PySCF, Q-Chem, Gaussian

DevOps & Infrastructure

Docker, NGINX, AWS, SLURM, CI/CD, GPU Server Management, VPS Deployment

Awards & Recognition

  • Phi Beta Kappa

    Xi Chapter of Massachusetts, MIT, 2023

  • Academic Achievement Award

    MIT Department of Chemistry, 2023

  • El Maqtanyshy (Pride of the Nation)

    Nursultan Nazarbayev Foundation, 2020 & 2019

  • Olympiad Coaching Award

    Ministry of Education and Science of Kazakhstan, 2019

  • Gold Medal (Ranked 10th)

    International Chemistry Olympiad (IChO), 2017

  • Gold Medal (Ranked 8th)

    International Mendeleev Chemistry Olympiad, 2017