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