About
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 + Science 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.
Focus areas
Drug discovery, materials, catalysis, energy
Accelerating downstream applications — drug discovery, materials design, catalysis, and energy solutions — by applying deep learning and generative models to quantum chemical data.
Workflows and intelligent tools
Building systems and models that integrate AI into different fields to boost productivity and efficiency — from agentic workflows to intelligent tools.
Simulation fast enough for industry
Making advanced simulation practical for real-world industrial applications beyond standard DFT, by rebuilding methods like the random phase approximation and quantum embedding to run on GPUs.
Catalysis, superconductors, quantum computing
Advancing quantum chemistry applications in catalysis, superconductors, and quantum computing through efficient, 1 kcal/mol-accurate ab initio simulation of strongly correlated and metallic systems, on classical and quantum platforms.
Large-scale AFQMC
Enabling scalable, chemically accurate quantum chemistry simulations for large systems — including strongly correlated molecules and metallic surfaces — with advanced AFQMC algorithms that leverage locality and modern GPUs.
Topological insulators, perovskites, MOFs, COFs
Investigating reticular frameworks, topological systems, and photovoltaics with periodic DFT, Wannier tight-binding models, and Grand Canonical Monte Carlo.
Software
Experience
Education
Publications
