Aanya Loyalka
Computational materials scientist building models for molecules, markets, and impact, from PBPK drug engines to quantum chemistry to financial data pipelines.
A builder at the seam of matter and code
Aanya Loyalka studies Materials Science & Engineering with Data Science at the University of Washington, working where pharmacokinetics, scientific computing, machine learning, quantum algorithms, finance, and social impact overlap.
The thread through every project is the same: take a hard, physical problem: how a drug moves through the body, how electrons settle into a molecule's ground state, how a portfolio should be weighted. Then build software rigorous enough to answer it.
Precision over noise. Systems that hold up under scrutiny, shipped with quiet confidence.
Projects with signal
Four builds across drug simulation, quantum chemistry, social enterprise, and fintech, each shipped end to end.
NeoGen
An AI drug-development platform co-founded around a 14-compartment PBPK engine, 50+ ML models, and a production REST API for real-time PK simulation.
VQE Molecular Energies
A Variational Quantum Eigensolver pipeline in Qiskit & PySCF computing ground-state energies for H₂ and LiH, benchmarked across ansatzes and optimizers.
Atelier Kolkata
A social enterprise giving underprivileged artists a platform to sell their work. Web presence and sales operations run end to end, INR 16.11 lakh sold for charity.
Investment Analytics
Data pipelines and analysis powering portfolio recommendations at Goalteller: cleaning, analyzing, and visualizing financial data for 1,000+ real users.
The toolkit
Methods and software across computation, engineering, and analysis. Hover to explore.
Scientific Computing
01SciPy ODE solvers, RDKit, Morgan fingerprints, PBPK modeling, pharmacokinetic simulation, and Michaelis–Menten kinetics.
Software Development
02Python, Java, HTML/CSS, REST APIs, full-stack product thinking, and pragmatic engineering.
Quantum Algorithms
03Qiskit, PySCF, molecular Hamiltonians, parity mapping, UCCSD, EfficientSU2, COBYLA, and SPSA.
Data & Finance
04Financial analytics, accounting workflows, client-facing analysis, data pipelines, and visualization.
Want to build something rigorous?
Start the conversation: collaborations, research, or just a good problem worth solving.