Science accelerates when AI meets deep domain expertise.
I build at that intersection — using modern deep learning techniques and agentic AI combined with ab initio high-fidelity data from quantum chemistry to reveal hidden chemical transformations that can drive progress in drug development, materials design, energy, and beyond.
Beyond fundamental research, I bring the same AI-augmented mindset to real-world problems — building systems and models that integrate AI into different fields to boost productivity and efficiency. From agentic workflows to intelligent tools, if there's a way AI can make something faster, smarter, or more impactful, I want to build it.
AI + Chemistry for Real-World Impact
Applying deep learning, generative models, and agentic AI to quantum chemical data to accelerate downstream applications — drug discovery, materials design, catalysis, and energy solutions.
Scalable Quantum Embedding for Material Simulation
Developing quantum embedding algorithms for efficient, 1 kcal/mol-accurate ab initio simulations of strongly correlated and metallic systems on classical and quantum platforms, advancing quantum chemistry applications in catalysis, superconductors, and quantum computing.
Large-scale Quantum Monte Carlo
Developing advanced AFQMC algorithms leveraging locality and modern GPUs, enabling scalable, chemically accurate quantum chemistry simulations for large systems, including strongly correlated molecules and metallic surfaces.
Topological Insulators | Perovskites | MOFs | COFs
Applying advanced computational techniques — periodic DFT, Wannier tight-binding models, and Grand Canonical Monte Carlo — to investigate reticular frameworks, topological systems, and photovoltaics.
Fast Quantum Chemistry on GPU
Accelerating quantum chemistry methods like random phase approximation and quantum embedding by leveraging GPUs, making advanced simulations practical for real-world industrial applications beyond standard DFT.
Research Scientist
Postdoctoral Research Scientist
Advisor: David Reichman
Research Assistant
Advisor: Laura Gagliardi
Research Assistant
Research Assistant
Advisor: Nguyen-Nguyen Pham-Tran
Ph.D. in Chemistry
B.S. in Chemistry
