All 3-D graphics in this site are immersive (can be "moved" with your mouse) and made by me*
I am a scientist with academic research experience and a strong computer background. I have an expertise in Monte Carlo simulations and have applied thermodynamics as well as artificial intelligence to study three-dimensional (3-D) solids. During my PhD, I focused on crystallization theory using different methodologies.

Dynamic simulations to explore morphology and propagation of features with time

Kinetic Monte Carlo (kMC) simulations have been implemented in the second and third dimension with novel on-lattice theory to shed light on crystallization phenomena. Below is a procedural animation of a kMC simulation I developed where grass blocks with less neighboring blocks are removed faster.

Immersive figure. Hold-click figure to handle
(simulation: C++; graphics: JavaScript)
{with exploding blocks}

Tensors for complex topologies

Crystals are typically simulated as blocks (above) or ``coarse grains''. In the case of protein crystals, the crystals may be simulated with a single grain type, which may be a periodic slice of a protein unit ( a collection of molecules ). Tensors were used to simulate crystal structures with a complex arrangement of grains of different types. A common case of these crystals are metal-organic frameworks (MOFs): Immersive figure. Hold-click figure to handle
(tensor: Python; graphics; JavaScript)
Algorithms have also been developed to manipulate these tensors for 3-D simulations and deeper analysis, which include search-and-update implementations and applying machine learning (ML) and computer vision algorithms to gain a deeper understanding of structure-function relationships.

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*3-D graphics made using Three.js and

• Computational modeling
• Experimental design
• Mathematical optimization
• Nonlinear programming
• High Performance Computing
• Statistical mechanics
• Kinetic modeling
• Thermodynamics
• Diffusion
• Solid-state physics
• X-Ray Diffraction (XRD)
• Nuclear Magnetic Resonance (NMR)
• Systems integration
• Market Research
• Patent analysis
• Fundraising

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